 
  CRYSTAL PROJECTION (ROTPROJ)
  ----------------------------------------------------------------------------- 
 | Before Projction, the three lattice vectors:
 | 
 |       2.447042090111      0.000000000000      0.000000000000
 |      -1.223521045055      2.119200614245      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 | 
 | -----------------------------------------
 | The rotation angle of x, y and z axes: 0.000pi 0.000pi 0.500pi
 | -----------------------------------------
 | 
 | After Projction, the three lattice vectors:
 | 
 |       0.000000184747      2.447042090111      0.000000000000
 |      -2.119200706618     -1.223520885060      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 
  KMESH METHOD
  ----------------------------------------------------------------------------- 
 | 
 | Automatic mesh
 |   0
 | Gamma-centered
 |  20 20  1
 |   0  0  0
 
  AFFINE PURE DEFORMATION      000/042
  ----------------------------------------------------------------------------- 
 | Before affine uniaxial tensile deformation, the three lattice vectors:
 | 
 |       0.000000184747      2.447042090111      0.000000000000
 |      -2.119200706618     -1.223520885060      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 | 
 | -----------------------------------------
 | Tensile and shearing strain:  0.0000  0.0000
 | -----------------------------------------
 | Strain matrix is as follows:
 |           1.0000  0.0000  0.0000
 |           0.0000  1.0000  0.0000
 |           0.0000  0.0000  1.0000
 | -----------------------------------------
 | 
 | After affine uniaxial tensile deformation, the three lattice vectors:
 | 
 |       0.000000184747      2.447042090111      0.000000000000
 |      -2.119200706618     -1.223520885060      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 
  AFFINE DEFORMATION      000/042
  ----------------------------------------------------------------------------- 
 | FREE ENERGY TOTEN      :     -20.17677950
 | ENERGY WITHOUT ENTROPY :     -20.17677950
 | ENERGY(SIMGA->0)       :     -20.17677950
 | Pxx (kB)               :          -0.0125
 | Pyy (kB)               :          -0.0125
 | Pzz (kB)               :          -0.2181
 | Pxy (kB)               :           0.0000
 | Pyz (kB)               :           0.0000
 | Pzx (kB)               :           0.0000
 | PSTRESS (kB)           :             0.00
 | E-FERMI (eV)           :          -3.3353
 | VOLUME (Ang^3)         :         103.7200
 
  AFFINE PURE DEFORMATION      001/042
  ----------------------------------------------------------------------------- 
 | Before affine uniaxial tensile deformation, the three lattice vectors:
 | 
 |       0.000000184747      2.447042090111      0.000000000000
 |      -2.119200706618     -1.223520885060      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 | 
 | -----------------------------------------
 | Tensile and shearing strain:  0.0100  0.0000
 | -----------------------------------------
 | Strain matrix is as follows:
 |           1.0000  0.0000  0.0000
 |           0.0000  1.0100  0.0000
 |           0.0000  0.0000  1.0000
 | -----------------------------------------
 | 
 | After affine uniaxial tensile deformation, the three lattice vectors:
 | 
 |       0.000000184747      2.471512511012      0.000000000000
 |      -2.119200706618     -1.235756093911      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 
  AFFINE DEFORMATION      001/042
  ----------------------------------------------------------------------------- 
 | FREE ENERGY TOTEN      :     -20.17139969
 | ENERGY WITHOUT ENTROPY :     -20.17139969
 | ENERGY(SIMGA->0)       :     -20.17139969
 | Pxx (kB)               :          -0.0003
 | Pyy (kB)               :         -17.1411
 | Pzz (kB)               :          -0.2144
 | Pxy (kB)               :           0.0000
 | Pyz (kB)               :           0.0000
 | Pzx (kB)               :           0.0000
 | PSTRESS (kB)           :             0.00
 | E-FERMI (eV)           :          -3.2960
 | VOLUME (Ang^3)         :         104.5600
 
  AFFINE PURE DEFORMATION      002/042
  ----------------------------------------------------------------------------- 
 | Before affine uniaxial tensile deformation, the three lattice vectors:
 | 
 |       0.000000180792      2.471512511012      0.000000000000
 |      -2.115284620460     -1.235756090815      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 | 
 | -----------------------------------------
 | Tensile and shearing strain:  0.0099  0.0000
 | -----------------------------------------
 | Strain matrix is as follows:
 |           1.0000  0.0000  0.0000
 |           0.0000  1.0099  0.0000
 |           0.0000  0.0000  1.0000
 | -----------------------------------------
 | 
 | After affine uniaxial tensile deformation, the three lattice vectors:
 | 
 |       0.000000180792      2.495982931913      0.000000000000
 |      -2.115284620460     -1.247991299635      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 
  AFFINE DEFORMATION      002/042
  ----------------------------------------------------------------------------- 
 | FREE ENERGY TOTEN      :     -20.15518863
 | ENERGY WITHOUT ENTROPY :     -20.15518863
 | ENERGY(SIMGA->0)       :     -20.15518863
 | Pxx (kB)               :          -0.0002
 | Pyy (kB)               :         -33.5105
 | Pzz (kB)               :          -0.2082
 | Pxy (kB)               :           0.0000
 | Pyz (kB)               :           0.0000
 | Pzx (kB)               :           0.0000
 | PSTRESS (kB)           :             0.00
 | E-FERMI (eV)           :          -3.2856
 | VOLUME (Ang^3)         :         105.4100
 
  AFFINE PURE DEFORMATION      003/042
  ----------------------------------------------------------------------------- 
 | Before affine uniaxial tensile deformation, the three lattice vectors:
 | 
 |       0.000000173167      2.495982931913      0.000000000000
 |      -2.111548592337     -1.247991293449      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 | 
 | -----------------------------------------
 | Tensile and shearing strain:  0.0098  0.0000
 | -----------------------------------------
 | Strain matrix is as follows:
 |           1.0000  0.0000  0.0000
 |           0.0000  1.0098  0.0000
 |           0.0000  0.0000  1.0000
 | -----------------------------------------
 | 
 | After affine uniaxial tensile deformation, the three lattice vectors:
 | 
 |       0.000000173167      2.520453352814      0.000000000000
 |      -2.111548592337     -1.260226502208      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 
  AFFINE DEFORMATION      003/042
  ----------------------------------------------------------------------------- 
 | FREE ENERGY TOTEN      :     -20.12870800
 | ENERGY WITHOUT ENTROPY :     -20.12870800
 | ENERGY(SIMGA->0)       :     -20.12870800
 | Pxx (kB)               :           0.0000
 | Pyy (kB)               :         -49.0835
 | Pzz (kB)               :          -0.2033
 | Pxy (kB)               :           0.0000
 | Pyz (kB)               :           0.0000
 | Pzx (kB)               :           0.0000
 | PSTRESS (kB)           :             0.00
 | E-FERMI (eV)           :          -3.1357
 | VOLUME (Ang^3)         :         106.2600
 
  AFFINE PURE DEFORMATION      004/042
  ----------------------------------------------------------------------------- 
 | Before affine uniaxial tensile deformation, the three lattice vectors:
 | 
 |       0.000000162300      2.520453352814      0.000000000000
 |      -2.108016507538     -1.260226493353      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 | 
 | -----------------------------------------
 | Tensile and shearing strain:  0.0097  0.0000
 | -----------------------------------------
 | Strain matrix is as follows:
 |           1.0000  0.0000  0.0000
 |           0.0000  1.0097  0.0000
 |           0.0000  0.0000  1.0000
 | -----------------------------------------
 | 
 | After affine uniaxial tensile deformation, the three lattice vectors:
 | 
 |       0.000000162300      2.544923773715      0.000000000000
 |      -2.108016507538     -1.272461702026      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 
  AFFINE DEFORMATION      004/042
  ----------------------------------------------------------------------------- 
 | FREE ENERGY TOTEN      :     -20.09248727
 | ENERGY WITHOUT ENTROPY :     -20.09248727
 | ENERGY(SIMGA->0)       :     -20.09248727
 | Pxx (kB)               :          -0.0179
 | Pyy (kB)               :         -63.9288
 | Pzz (kB)               :          -0.2183
 | Pxy (kB)               :           0.0000
 | Pyz (kB)               :           0.0000
 | Pzx (kB)               :           0.0000
 | PSTRESS (kB)           :             0.00
 | E-FERMI (eV)           :          -3.1731
 | VOLUME (Ang^3)         :         107.1200
 
  AFFINE PURE DEFORMATION      005/042
  ----------------------------------------------------------------------------- 
 | Before affine uniaxial tensile deformation, the three lattice vectors:
 | 
 |       0.000000152993      2.544923773715      0.000000000000
 |      -2.104615156655     -1.272461694536      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 | 
 | -----------------------------------------
 | Tensile and shearing strain:  0.0096  0.0000
 | -----------------------------------------
 | Strain matrix is as follows:
 |           1.0000  0.0000  0.0000
 |           0.0000  1.0096  0.0000
 |           0.0000  0.0000  1.0000
 | -----------------------------------------
 | 
 | After affine uniaxial tensile deformation, the three lattice vectors:
 | 
 |       0.000000152993      2.569394194616      0.000000000000
 |      -2.104615156655     -1.284696903137      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 
  AFFINE DEFORMATION      005/042
  ----------------------------------------------------------------------------- 
 | FREE ENERGY TOTEN      :     -20.04704755
 | ENERGY WITHOUT ENTROPY :     -20.04704755
 | ENERGY(SIMGA->0)       :     -20.04704755
 | Pxx (kB)               :          -0.0165
 | Pyy (kB)               :         -77.9747
 | Pzz (kB)               :          -0.2113
 | Pxy (kB)               :           0.0000
 | Pyz (kB)               :           0.0000
 | Pzx (kB)               :           0.0000
 | PSTRESS (kB)           :             0.00
 | E-FERMI (eV)           :          -3.1485
 | VOLUME (Ang^3)         :         107.9900
 
  AFFINE PURE DEFORMATION      006/042
  ----------------------------------------------------------------------------- 
 | Before affine uniaxial tensile deformation, the three lattice vectors:
 | 
 |       0.000000142135      2.569394194616      0.000000000000
 |      -2.101376751656     -1.284696894439      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 | 
 | -----------------------------------------
 | Tensile and shearing strain:  0.0095  0.0000
 | -----------------------------------------
 | Strain matrix is as follows:
 |           1.0000  0.0000  0.0000
 |           0.0000  1.0095  0.0000
 |           0.0000  0.0000  1.0000
 | -----------------------------------------
 | 
 | After affine uniaxial tensile deformation, the three lattice vectors:
 | 
 |       0.000000142135      2.593864615517      0.000000000000
 |      -2.101376751656     -1.296932102957      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 
  AFFINE DEFORMATION      006/042
  ----------------------------------------------------------------------------- 
 | FREE ENERGY TOTEN      :     -19.99291885
 | ENERGY WITHOUT ENTROPY :     -19.99291885
 | ENERGY(SIMGA->0)       :     -19.99291885
 | Pxx (kB)               :          -0.0118
 | Pyy (kB)               :         -91.2488
 | Pzz (kB)               :          -0.2030
 | Pxy (kB)               :           0.0000
 | Pyz (kB)               :           0.0000
 | Pzx (kB)               :           0.0000
 | PSTRESS (kB)           :             0.00
 | E-FERMI (eV)           :          -3.1618
 | VOLUME (Ang^3)         :         108.8500
 
  AFFINE PURE DEFORMATION      007/042
  ----------------------------------------------------------------------------- 
 | Before affine uniaxial tensile deformation, the three lattice vectors:
 | 
 |       0.000000130160      2.593864615517      0.000000000000
 |      -2.098286656867     -1.296932093429      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 | 
 | -----------------------------------------
 | Tensile and shearing strain:  0.0094  0.0000
 | -----------------------------------------
 | Strain matrix is as follows:
 |           1.0000  0.0000  0.0000
 |           0.0000  1.0094  0.0000
 |           0.0000  0.0000  1.0000
 | -----------------------------------------
 | 
 | After affine uniaxial tensile deformation, the three lattice vectors:
 | 
 |       0.000000130160      2.618335036418      0.000000000000
 |      -2.098286656867     -1.309167301858      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 
  AFFINE DEFORMATION      007/042
  ----------------------------------------------------------------------------- 
 | FREE ENERGY TOTEN      :     -19.93093143
 | ENERGY WITHOUT ENTROPY :     -19.93093137
 | ENERGY(SIMGA->0)       :     -19.93093140
 | Pxx (kB)               :           0.0003
 | Pyy (kB)               :        -101.7910
 | Pzz (kB)               :          -0.1888
 | Pxy (kB)               :           0.0000
 | Pyz (kB)               :           0.0000
 | Pzx (kB)               :           0.0000
 | PSTRESS (kB)           :             0.00
 | E-FERMI (eV)           :          -3.1702
 | VOLUME (Ang^3)         :         109.6400
 
  AFFINE PURE DEFORMATION      008/042
  ----------------------------------------------------------------------------- 
 | Before affine uniaxial tensile deformation, the three lattice vectors:
 | 
 |       0.000000111970      2.618335036418      0.000000000000
 |      -2.093683961242     -1.309167287526      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 | 
 | -----------------------------------------
 | Tensile and shearing strain:  0.0093  0.0000
 | -----------------------------------------
 | Strain matrix is as follows:
 |           1.0000  0.0000  0.0000
 |           0.0000  1.0093  0.0000
 |           0.0000  0.0000  1.0000
 | -----------------------------------------
 | 
 | After affine uniaxial tensile deformation, the three lattice vectors:
 | 
 |       0.000000111970      2.642805457319      0.000000000000
 |      -2.093683961242     -1.321402495821      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 
  AFFINE DEFORMATION      008/042
  ----------------------------------------------------------------------------- 
 | FREE ENERGY TOTEN      :     -19.86225025
 | ENERGY WITHOUT ENTROPY :     -19.86225025
 | ENERGY(SIMGA->0)       :     -19.86225025
 | Pxx (kB)               :          -0.0074
 | Pyy (kB)               :        -113.4893
 | Pzz (kB)               :          -0.1973
 | Pxy (kB)               :           0.0000
 | Pyz (kB)               :           0.0000
 | Pzx (kB)               :           0.0000
 | PSTRESS (kB)           :             0.00
 | E-FERMI (eV)           :          -3.2353
 | VOLUME (Ang^3)         :         110.5200
 
  AFFINE PURE DEFORMATION      009/042
  ----------------------------------------------------------------------------- 
 | Before affine uniaxial tensile deformation, the three lattice vectors:
 | 
 |       0.000000103739      2.642805457319      0.000000000000
 |      -2.090956097748     -1.321402489415      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 | 
 | -----------------------------------------
 | Tensile and shearing strain:  0.0093  0.0000
 | -----------------------------------------
 | Strain matrix is as follows:
 |           1.0000  0.0000  0.0000
 |           0.0000  1.0093  0.0000
 |           0.0000  0.0000  1.0000
 | -----------------------------------------
 | 
 | After affine uniaxial tensile deformation, the three lattice vectors:
 | 
 |       0.000000103739      2.667275878220      0.000000000000
 |      -2.090956097748     -1.333637697650      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 
  AFFINE DEFORMATION      009/042
  ----------------------------------------------------------------------------- 
 | FREE ENERGY TOTEN      :     -19.78643070
 | ENERGY WITHOUT ENTROPY :     -19.78643070
 | ENERGY(SIMGA->0)       :     -19.78643070
 | Pxx (kB)               :          -0.0014
 | Pyy (kB)               :        -124.4816
 | Pzz (kB)               :          -0.1787
 | Pxy (kB)               :           0.0000
 | Pyz (kB)               :           0.0000
 | Pzx (kB)               :           0.0000
 | PSTRESS (kB)           :             0.00
 | E-FERMI (eV)           :          -3.2309
 | VOLUME (Ang^3)         :         111.4000
 
  AFFINE PURE DEFORMATION      010/042
  ----------------------------------------------------------------------------- 
 | Before affine uniaxial tensile deformation, the three lattice vectors:
 | 
 |       0.000000091309      2.667275878220      0.000000000000
 |      -2.088231393792     -1.333637688016      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 | 
 | -----------------------------------------
 | Tensile and shearing strain:  0.0092  0.0000
 | -----------------------------------------
 | Strain matrix is as follows:
 |           1.0000  0.0000  0.0000
 |           0.0000  1.0092  0.0000
 |           0.0000  0.0000  1.0000
 | -----------------------------------------
 | 
 | After affine uniaxial tensile deformation, the three lattice vectors:
 | 
 |       0.000000091309      2.691746299121      0.000000000000
 |      -2.088231393792     -1.345872896163      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 
  AFFINE DEFORMATION      010/042
  ----------------------------------------------------------------------------- 
 | FREE ENERGY TOTEN      :     -19.70394941
 | ENERGY WITHOUT ENTROPY :     -19.70394941
 | ENERGY(SIMGA->0)       :     -19.70394941
 | Pxx (kB)               :          -0.0060
 | Pyy (kB)               :        -134.6770
 | Pzz (kB)               :          -0.1799
 | Pxy (kB)               :           0.0000
 | Pyz (kB)               :           0.0000
 | Pzx (kB)               :           0.0000
 | PSTRESS (kB)           :             0.00
 | E-FERMI (eV)           :          -3.3060
 | VOLUME (Ang^3)         :         112.2800
 
  AFFINE PURE DEFORMATION      011/042
  ----------------------------------------------------------------------------- 
 | Before affine uniaxial tensile deformation, the three lattice vectors:
 | 
 |       0.000000079313      2.691746299121      0.000000000000
 |      -2.085710971175     -1.345872886946      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 | 
 | -----------------------------------------
 | Tensile and shearing strain:  0.0091  0.0000
 | -----------------------------------------
 | Strain matrix is as follows:
 |           1.0000  0.0000  0.0000
 |           0.0000  1.0091  0.0000
 |           0.0000  0.0000  1.0000
 | -----------------------------------------
 | 
 | After affine uniaxial tensile deformation, the three lattice vectors:
 | 
 |       0.000000079313      2.716216720022      0.000000000000
 |      -2.085710971175     -1.358108095009      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 
  AFFINE DEFORMATION      011/042
  ----------------------------------------------------------------------------- 
 | FREE ENERGY TOTEN      :     -19.61531940
 | ENERGY WITHOUT ENTROPY :     -19.61531940
 | ENERGY(SIMGA->0)       :     -19.61531940
 | Pxx (kB)               :          -0.0169
 | Pyy (kB)               :        -144.1069
 | Pzz (kB)               :          -0.1701
 | Pxy (kB)               :           0.0000
 | Pyz (kB)               :           0.0000
 | Pzx (kB)               :           0.0000
 | PSTRESS (kB)           :             0.00
 | E-FERMI (eV)           :          -3.5191
 | VOLUME (Ang^3)         :         113.1800
 
  AFFINE PURE DEFORMATION      012/042
  ----------------------------------------------------------------------------- 
 | Before affine uniaxial tensile deformation, the three lattice vectors:
 | 
 |       0.000000068021      2.716216720022      0.000000000000
 |      -2.083321472271     -1.358108086411      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 | 
 | -----------------------------------------
 | Tensile and shearing strain:  0.0090  0.0000
 | -----------------------------------------
 | Strain matrix is as follows:
 |           1.0000  0.0000  0.0000
 |           0.0000  1.0090  0.0000
 |           0.0000  0.0000  1.0000
 | -----------------------------------------
 | 
 | After affine uniaxial tensile deformation, the three lattice vectors:
 | 
 |       0.000000068021      2.740687140923      0.000000000000
 |      -2.083321472271     -1.370343294397      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 
  AFFINE DEFORMATION      012/042
  ----------------------------------------------------------------------------- 
 | FREE ENERGY TOTEN      :     -19.52102334
 | ENERGY WITHOUT ENTROPY :     -19.52102334
 | ENERGY(SIMGA->0)       :     -19.52102334
 | Pxx (kB)               :          -0.0255
 | Pyy (kB)               :        -152.7794
 | Pzz (kB)               :          -0.1678
 | Pxy (kB)               :           0.0000
 | Pyz (kB)               :           0.0000
 | Pzx (kB)               :           0.0000
 | PSTRESS (kB)           :             0.00
 | E-FERMI (eV)           :          -3.5967
 | VOLUME (Ang^3)         :         114.0700
 
  AFFINE PURE DEFORMATION      013/042
  ----------------------------------------------------------------------------- 
 | Before affine uniaxial tensile deformation, the three lattice vectors:
 | 
 |       0.000000057624      2.740687140923      0.000000000000
 |      -2.081045761376     -1.370343286553      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 | 
 | -----------------------------------------
 | Tensile and shearing strain:  0.0089  0.0000
 | -----------------------------------------
 | Strain matrix is as follows:
 |           1.0000  0.0000  0.0000
 |           0.0000  1.0089  0.0000
 |           0.0000  0.0000  1.0000
 | -----------------------------------------
 | 
 | After affine uniaxial tensile deformation, the three lattice vectors:
 | 
 |       0.000000057624      2.765157561824      0.000000000000
 |      -2.081045761376     -1.382578494469      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 
  AFFINE DEFORMATION      013/042
  ----------------------------------------------------------------------------- 
 | FREE ENERGY TOTEN      :     -19.42155266
 | ENERGY WITHOUT ENTROPY :     -19.42155266
 | ENERGY(SIMGA->0)       :     -19.42155266
 | Pxx (kB)               :           0.0003
 | Pyy (kB)               :        -160.7007
 | Pzz (kB)               :          -0.1636
 | Pxy (kB)               :           0.0000
 | Pyz (kB)               :           0.0000
 | Pzx (kB)               :           0.0000
 | PSTRESS (kB)           :             0.00
 | E-FERMI (eV)           :          -3.6711
 | VOLUME (Ang^3)         :         114.9700
 
  AFFINE PURE DEFORMATION      014/042
  ----------------------------------------------------------------------------- 
 | Before affine uniaxial tensile deformation, the three lattice vectors:
 | 
 |       0.000000045196      2.765157561824      0.000000000000
 |      -2.078846870292     -1.382578485167      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 | 
 | -----------------------------------------
 | Tensile and shearing strain:  0.0088  0.0000
 | -----------------------------------------
 | Strain matrix is as follows:
 |           1.0000  0.0000  0.0000
 |           0.0000  1.0088  0.0000
 |           0.0000  0.0000  1.0000
 | -----------------------------------------
 | 
 | After affine uniaxial tensile deformation, the three lattice vectors:
 | 
 |       0.000000045196      2.789627982725      0.000000000000
 |      -2.078846870292     -1.394813693000      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 
  AFFINE DEFORMATION      014/042
  ----------------------------------------------------------------------------- 
 | FREE ENERGY TOTEN      :     -19.31738417
 | ENERGY WITHOUT ENTROPY :     -19.31738417
 | ENERGY(SIMGA->0)       :     -19.31738417
 | Pxx (kB)               :          -0.0224
 | Pyy (kB)               :        -167.9200
 | Pzz (kB)               :          -0.1620
 | Pxy (kB)               :           0.0000
 | Pyz (kB)               :           0.0000
 | Pzx (kB)               :           0.0000
 | PSTRESS (kB)           :             0.00
 | E-FERMI (eV)           :          -3.5839
 | VOLUME (Ang^3)         :         115.8700
 
  AFFINE PURE DEFORMATION      015/042
  ----------------------------------------------------------------------------- 
 | Before affine uniaxial tensile deformation, the three lattice vectors:
 | 
 |       0.000000037336      2.789627982725      0.000000000000
 |      -2.076790879722     -1.394813687178      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 | 
 | -----------------------------------------
 | Tensile and shearing strain:  0.0088  0.0000
 | -----------------------------------------
 | Strain matrix is as follows:
 |           1.0000  0.0000  0.0000
 |           0.0000  1.0088  0.0000
 |           0.0000  0.0000  1.0000
 | -----------------------------------------
 | 
 | After affine uniaxial tensile deformation, the three lattice vectors:
 | 
 |       0.000000037336      2.814098403626      0.000000000000
 |      -2.076790879722     -1.407048894960      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 
  AFFINE DEFORMATION      015/042
  ----------------------------------------------------------------------------- 
 | FREE ENERGY TOTEN      :     -19.20896844
 | ENERGY WITHOUT ENTROPY :     -19.20896844
 | ENERGY(SIMGA->0)       :     -19.20896844
 | Pxx (kB)               :          -0.0053
 | Pyy (kB)               :        -174.4099
 | Pzz (kB)               :          -0.1575
 | Pxy (kB)               :           0.0000
 | Pyz (kB)               :           0.0000
 | Pzx (kB)               :           0.0000
 | PSTRESS (kB)           :             0.00
 | E-FERMI (eV)           :          -3.5159
 | VOLUME (Ang^3)         :         116.7800
 
  AFFINE PURE DEFORMATION      016/042
  ----------------------------------------------------------------------------- 
 | Before affine uniaxial tensile deformation, the three lattice vectors:
 | 
 |       0.000000030562      2.814098403626      0.000000000000
 |      -2.074883268717     -1.407048889988      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 | 
 | -----------------------------------------
 | Tensile and shearing strain:  0.0087  0.0000
 | -----------------------------------------
 | Strain matrix is as follows:
 |           1.0000  0.0000  0.0000
 |           0.0000  1.0087  0.0000
 |           0.0000  0.0000  1.0000
 | -----------------------------------------
 | 
 | After affine uniaxial tensile deformation, the three lattice vectors:
 | 
 |       0.000000030562      2.838568824527      0.000000000000
 |      -2.074883268717     -1.419284097727      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 
  AFFINE DEFORMATION      016/042
  ----------------------------------------------------------------------------- 
 | FREE ENERGY TOTEN      :     -19.09672750
 | ENERGY WITHOUT ENTROPY :     -19.09672750
 | ENERGY(SIMGA->0)       :     -19.09672750
 | Pxx (kB)               :          -0.0047
 | Pyy (kB)               :        -180.2716
 | Pzz (kB)               :          -0.1545
 | Pxy (kB)               :           0.0000
 | Pyz (kB)               :           0.0000
 | Pzx (kB)               :           0.0000
 | PSTRESS (kB)           :             0.00
 | E-FERMI (eV)           :          -3.4368
 | VOLUME (Ang^3)         :         117.6900
 
  AFFINE PURE DEFORMATION      017/042
  ----------------------------------------------------------------------------- 
 | Before affine uniaxial tensile deformation, the three lattice vectors:
 | 
 |       0.000000024777      2.838568824527      0.000000000000
 |      -2.073104887842     -1.419284093519      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 | 
 | -----------------------------------------
 | Tensile and shearing strain:  0.0086  0.0000
 | -----------------------------------------
 | Strain matrix is as follows:
 |           1.0000  0.0000  0.0000
 |           0.0000  1.0086  0.0000
 |           0.0000  0.0000  1.0000
 | -----------------------------------------
 | 
 | After affine uniaxial tensile deformation, the three lattice vectors:
 | 
 |       0.000000024777      2.863039245428      0.000000000000
 |      -2.073104887842     -1.431519301222      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 
  AFFINE DEFORMATION      017/042
  ----------------------------------------------------------------------------- 
 | FREE ENERGY TOTEN      :     -18.98106352
 | ENERGY WITHOUT ENTROPY :     -18.98106352
 | ENERGY(SIMGA->0)       :     -18.98106352
 | Pxx (kB)               :           0.0011
 | Pyy (kB)               :        -185.5207
 | Pzz (kB)               :          -0.1514
 | Pxy (kB)               :           0.0000
 | Pyz (kB)               :           0.0000
 | Pzx (kB)               :           0.0000
 | PSTRESS (kB)           :             0.00
 | E-FERMI (eV)           :          -3.3333
 | VOLUME (Ang^3)         :         118.6100
 
  AFFINE PURE DEFORMATION      018/042
  ----------------------------------------------------------------------------- 
 | Before affine uniaxial tensile deformation, the three lattice vectors:
 | 
 |       0.000000019899      2.863039245428      0.000000000000
 |      -2.071471260331     -1.431519297705      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 | 
 | -----------------------------------------
 | Tensile and shearing strain:  0.0085  0.0000
 | -----------------------------------------
 | Strain matrix is as follows:
 |           1.0000  0.0000  0.0000
 |           0.0000  1.0085  0.0000
 |           0.0000  0.0000  1.0000
 | -----------------------------------------
 | 
 | After affine uniaxial tensile deformation, the three lattice vectors:
 | 
 |       0.000000019899      2.887509666329      0.000000000000
 |      -2.071471260331     -1.443754505378      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 
  AFFINE DEFORMATION      018/042
  ----------------------------------------------------------------------------- 
 | FREE ENERGY TOTEN      :     -18.86234950
 | ENERGY WITHOUT ENTROPY :     -18.86234950
 | ENERGY(SIMGA->0)       :     -18.86234950
 | Pxx (kB)               :           0.0008
 | Pyy (kB)               :        -190.1782
 | Pzz (kB)               :          -0.1486
 | Pxy (kB)               :           0.0000
 | Pyz (kB)               :           0.0000
 | Pzx (kB)               :           0.0000
 | PSTRESS (kB)           :             0.00
 | E-FERMI (eV)           :          -3.3576
 | VOLUME (Ang^3)         :         119.5400
 
  AFFINE PURE DEFORMATION      019/042
  ----------------------------------------------------------------------------- 
 | Before affine uniaxial tensile deformation, the three lattice vectors:
 | 
 |       0.000000015846      2.887509666329      0.000000000000
 |      -2.069989294534     -1.443754502482      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 | 
 | -----------------------------------------
 | Tensile and shearing strain:  0.0085  0.0000
 | -----------------------------------------
 | Strain matrix is as follows:
 |           1.0000  0.0000  0.0000
 |           0.0000  1.0085  0.0000
 |           0.0000  0.0000  1.0000
 | -----------------------------------------
 | 
 | After affine uniaxial tensile deformation, the three lattice vectors:
 | 
 |       0.000000015846      2.911980087230      0.000000000000
 |      -2.069989294534     -1.455989710130      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 
  AFFINE DEFORMATION      019/042
  ----------------------------------------------------------------------------- 
 | FREE ENERGY TOTEN      :     -18.74114696
 | ENERGY WITHOUT ENTROPY :     -18.74114609
 | ENERGY(SIMGA->0)       :     -18.74114653
 | Pxx (kB)               :          -0.0004
 | Pyy (kB)               :        -191.8783
 | Pzz (kB)               :          -0.1457
 | Pxy (kB)               :           0.0000
 | Pyz (kB)               :           0.0000
 | Pzx (kB)               :           0.0000
 | PSTRESS (kB)           :             0.00
 | E-FERMI (eV)           :          -3.3727
 | VOLUME (Ang^3)         :         120.4100
 
  AFFINE PURE DEFORMATION      020/042
  ----------------------------------------------------------------------------- 
 | Before affine uniaxial tensile deformation, the three lattice vectors:
 | 
 |       0.000000010626      2.911980087230      0.000000000000
 |      -2.067560921112     -1.455989706436      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 | 
 | -----------------------------------------
 | Tensile and shearing strain:  0.0084  0.0000
 | -----------------------------------------
 | Strain matrix is as follows:
 |           1.0000  0.0000  0.0000
 |           0.0000  1.0084  0.0000
 |           0.0000  0.0000  1.0000
 | -----------------------------------------
 | 
 | After affine uniaxial tensile deformation, the three lattice vectors:
 | 
 |       0.000000010626      2.936450508131      0.000000000000
 |      -2.067560921112     -1.468224914053      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 
  AFFINE DEFORMATION      020/042
  ----------------------------------------------------------------------------- 
 | FREE ENERGY TOTEN      :     -18.61899245
 | ENERGY WITHOUT ENTROPY :     -18.61899245
 | ENERGY(SIMGA->0)       :     -18.61899245
 | Pxx (kB)               :          -0.0000
 | Pyy (kB)               :        -195.3747
 | Pzz (kB)               :          -0.1441
 | Pxy (kB)               :           0.0000
 | Pyz (kB)               :           0.0000
 | Pzx (kB)               :           0.0000
 | PSTRESS (kB)           :             0.00
 | E-FERMI (eV)           :          -3.3982
 | VOLUME (Ang^3)         :         121.3500
 
  AFFINE PURE DEFORMATION      021/042
  ----------------------------------------------------------------------------- 
 | Before affine uniaxial tensile deformation, the three lattice vectors:
 | 
 |       0.000000008381      2.936450508131      0.000000000000
 |      -2.066349466857     -1.468224912477      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 | 
 | -----------------------------------------
 | Tensile and shearing strain:  0.0083  0.0000
 | -----------------------------------------
 | Strain matrix is as follows:
 |           1.0000  0.0000  0.0000
 |           0.0000  1.0083  0.0000
 |           0.0000  0.0000  1.0000
 | -----------------------------------------
 | 
 | After affine uniaxial tensile deformation, the three lattice vectors:
 | 
 |       0.000000008381      2.960920929032      0.000000000000
 |      -2.066349466857     -1.480460120081      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 
  AFFINE DEFORMATION      021/042
  ----------------------------------------------------------------------------- 
 | FREE ENERGY TOTEN      :     -18.49488561
 | ENERGY WITHOUT ENTROPY :     -18.49488561
 | ENERGY(SIMGA->0)       :     -18.49488561
 | Pxx (kB)               :           0.0179
 | Pyy (kB)               :        -198.3150
 | Pzz (kB)               :          -0.1430
 | Pxy (kB)               :           0.0000
 | Pyz (kB)               :           0.0000
 | Pzx (kB)               :           0.0000
 | PSTRESS (kB)           :             0.00
 | E-FERMI (eV)           :          -3.4273
 | VOLUME (Ang^3)         :         122.3000
 
  AFFINE PURE DEFORMATION      022/042
  ----------------------------------------------------------------------------- 
 | Before affine uniaxial tensile deformation, the three lattice vectors:
 | 
 |       0.000000008057      2.960920929032      0.000000000000
 |      -2.065208388932     -1.480460119858      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 | 
 | -----------------------------------------
 | Tensile and shearing strain:  0.0083  0.0000
 | -----------------------------------------
 | Strain matrix is as follows:
 |           1.0000  0.0000  0.0000
 |           0.0000  1.0083  0.0000
 |           0.0000  0.0000  1.0000
 | -----------------------------------------
 | 
 | After affine uniaxial tensile deformation, the three lattice vectors:
 | 
 |       0.000000008057      2.985391349933      0.000000000000
 |      -2.065208388932     -1.492695327460      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 
  AFFINE DEFORMATION      022/042
  ----------------------------------------------------------------------------- 
 | FREE ENERGY TOTEN      :     -18.36915634
 | ENERGY WITHOUT ENTROPY :     -18.36915634
 | ENERGY(SIMGA->0)       :     -18.36915634
 | Pxx (kB)               :           0.0001
 | Pyy (kB)               :        -200.6985
 | Pzz (kB)               :          -0.1397
 | Pxy (kB)               :           0.0000
 | Pyz (kB)               :           0.0000
 | Pzx (kB)               :           0.0000
 | PSTRESS (kB)           :             0.00
 | E-FERMI (eV)           :          -3.4576
 | VOLUME (Ang^3)         :         123.2500
 
  AFFINE PURE DEFORMATION      023/042
  ----------------------------------------------------------------------------- 
 | Before affine uniaxial tensile deformation, the three lattice vectors:
 | 
 |       0.000000006247      2.985391349933      0.000000000000
 |      -2.064264025573     -1.492695326211      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 | 
 | -----------------------------------------
 | Tensile and shearing strain:  0.0082  0.0000
 | -----------------------------------------
 | Strain matrix is as follows:
 |           1.0000  0.0000  0.0000
 |           0.0000  1.0082  0.0000
 |           0.0000  0.0000  1.0000
 | -----------------------------------------
 | 
 | After affine uniaxial tensile deformation, the three lattice vectors:
 | 
 |       0.000000006247      3.009861770834      0.000000000000
 |      -2.064264025573     -1.504930533803      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 
  AFFINE DEFORMATION      023/042
  ----------------------------------------------------------------------------- 
 | FREE ENERGY TOTEN      :     -18.24213419
 | ENERGY WITHOUT ENTROPY :     -18.24213419
 | ENERGY(SIMGA->0)       :     -18.24213419
 | Pxx (kB)               :           0.0002
 | Pyy (kB)               :        -202.5790
 | Pzz (kB)               :          -0.1377
 | Pxy (kB)               :           0.0000
 | Pyz (kB)               :           0.0000
 | Pzx (kB)               :           0.0000
 | PSTRESS (kB)           :             0.00
 | E-FERMI (eV)           :          -3.4697
 | VOLUME (Ang^3)         :         124.2100
 
  AFFINE PURE DEFORMATION      024/042
  ----------------------------------------------------------------------------- 
 | Before affine uniaxial tensile deformation, the three lattice vectors:
 | 
 |       0.000000004824      3.009861770834      0.000000000000
 |      -2.063396508171     -1.504930532829      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 | 
 | -----------------------------------------
 | Tensile and shearing strain:  0.0081  0.0000
 | -----------------------------------------
 | Strain matrix is as follows:
 |           1.0000  0.0000  0.0000
 |           0.0000  1.0081  0.0000
 |           0.0000  0.0000  1.0000
 | -----------------------------------------
 | 
 | After affine uniaxial tensile deformation, the three lattice vectors:
 | 
 |       0.000000004824      3.034332191735      0.000000000000
 |      -2.063396508171     -1.517165740413      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 
  AFFINE DEFORMATION      024/042
  ----------------------------------------------------------------------------- 
 | FREE ENERGY TOTEN      :     -18.11412271
 | ENERGY WITHOUT ENTROPY :     -18.11412271
 | ENERGY(SIMGA->0)       :     -18.11412271
 | Pxx (kB)               :          -0.0009
 | Pyy (kB)               :        -204.0064
 | Pzz (kB)               :          -0.1362
 | Pxy (kB)               :           0.0000
 | Pyz (kB)               :           0.0000
 | Pzx (kB)               :           0.0000
 | PSTRESS (kB)           :             0.00
 | E-FERMI (eV)           :          -3.4070
 | VOLUME (Ang^3)         :         125.1800
 
  AFFINE PURE DEFORMATION      025/042
  ----------------------------------------------------------------------------- 
 | Before affine uniaxial tensile deformation, the three lattice vectors:
 | 
 |       0.000000003703      3.034332191735      0.000000000000
 |      -2.062648714606     -1.517165739652      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 | 
 | -----------------------------------------
 | Tensile and shearing strain:  0.0081  0.0000
 | -----------------------------------------
 | Strain matrix is as follows:
 |           1.0000  0.0000  0.0000
 |           0.0000  1.0081  0.0000
 |           0.0000  0.0000  1.0000
 | -----------------------------------------
 | 
 | After affine uniaxial tensile deformation, the three lattice vectors:
 | 
 |       0.000000003703      3.058802612636      0.000000000000
 |      -2.062648714606     -1.529400947230      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 
  AFFINE DEFORMATION      025/042
  ----------------------------------------------------------------------------- 
 | FREE ENERGY TOTEN      :     -17.98606288
 | ENERGY WITHOUT ENTROPY :     -17.98606288
 | ENERGY(SIMGA->0)       :     -17.98606288
 | Pxx (kB)               :          -0.0001
 | Pyy (kB)               :        -202.5088
 | Pzz (kB)               :          -0.1346
 | Pxy (kB)               :           0.0000
 | Pyz (kB)               :           0.0000
 | Pzx (kB)               :           0.0000
 | PSTRESS (kB)           :             0.00
 | E-FERMI (eV)           :          -3.4018
 | VOLUME (Ang^3)         :         126.1100
 
  AFFINE PURE DEFORMATION      026/042
  ----------------------------------------------------------------------------- 
 | Before affine uniaxial tensile deformation, the three lattice vectors:
 | 
 |       0.000000002650      3.058802612636      0.000000000000
 |      -2.061439937722     -1.529400946522      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 | 
 | -----------------------------------------
 | Tensile and shearing strain:  0.0080  0.0000
 | -----------------------------------------
 | Strain matrix is as follows:
 |           1.0000  0.0000  0.0000
 |           0.0000  1.0080  0.0000
 |           0.0000  0.0000  1.0000
 | -----------------------------------------
 | 
 | After affine uniaxial tensile deformation, the three lattice vectors:
 | 
 |       0.000000002650      3.083273033537      0.000000000000
 |      -2.061439937722     -1.541636154094      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 
  AFFINE DEFORMATION      026/042
  ----------------------------------------------------------------------------- 
 | FREE ENERGY TOTEN      :     -17.85841958
 | ENERGY WITHOUT ENTROPY :     -17.85841956
 | ENERGY(SIMGA->0)       :     -17.85841957
 | Pxx (kB)               :          -0.0005
 | Pyy (kB)               :        -203.2465
 | Pzz (kB)               :          -0.1325
 | Pxy (kB)               :           0.0000
 | Pyz (kB)               :           0.0000
 | Pzx (kB)               :           0.0000
 | PSTRESS (kB)           :             0.00
 | E-FERMI (eV)           :          -3.3933
 | VOLUME (Ang^3)         :         127.0900
 
  AFFINE PURE DEFORMATION      027/042
  ----------------------------------------------------------------------------- 
 | Before affine uniaxial tensile deformation, the three lattice vectors:
 | 
 |       0.000000002014      3.083273033537      0.000000000000
 |      -2.060945319947     -1.541636153670      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 | 
 | -----------------------------------------
 | Tensile and shearing strain:  0.0079  0.0000
 | -----------------------------------------
 | Strain matrix is as follows:
 |           1.0000  0.0000  0.0000
 |           0.0000  1.0079  0.0000
 |           0.0000  0.0000  1.0000
 | -----------------------------------------
 | 
 | After affine uniaxial tensile deformation, the three lattice vectors:
 | 
 |       0.000000002014      3.107743454438      0.000000000000
 |      -2.060945319947     -1.553871361239      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 
  AFFINE DEFORMATION      027/042
  ----------------------------------------------------------------------------- 
 | FREE ENERGY TOTEN      :     -17.73102705
 | ENERGY WITHOUT ENTROPY :     -17.73102135
 | ENERGY(SIMGA->0)       :     -17.73102420
 | Pxx (kB)               :           0.0062
 | Pyy (kB)               :        -202.4513
 | Pzz (kB)               :          -0.1287
 | Pxy (kB)               :           0.0000
 | Pyz (kB)               :           0.0000
 | Pzx (kB)               :           0.0000
 | PSTRESS (kB)           :             0.00
 | E-FERMI (eV)           :          -3.4578
 | VOLUME (Ang^3)         :         128.0600
 
  AFFINE PURE DEFORMATION      028/042
  ----------------------------------------------------------------------------- 
 | Before affine uniaxial tensile deformation, the three lattice vectors:
 | 
 |       0.000000001141      3.107743454438      0.000000000000
 |      -2.060285952193     -1.553871360661      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 | 
 | -----------------------------------------
 | Tensile and shearing strain:  0.0079  0.0000
 | -----------------------------------------
 | Strain matrix is as follows:
 |           1.0000  0.0000  0.0000
 |           0.0000  1.0079  0.0000
 |           0.0000  0.0000  1.0000
 | -----------------------------------------
 | 
 | After affine uniaxial tensile deformation, the three lattice vectors:
 | 
 |       0.000000001141      3.132213875339      0.000000000000
 |      -2.060285952193     -1.566106568225      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 
  AFFINE DEFORMATION      028/042
  ----------------------------------------------------------------------------- 
 | FREE ENERGY TOTEN      :     -17.60392310
 | ENERGY WITHOUT ENTROPY :     -17.60392310
 | ENERGY(SIMGA->0)       :     -17.60392310
 | Pxx (kB)               :          -0.0122
 | Pyy (kB)               :        -202.3244
 | Pzz (kB)               :          -0.1301
 | Pxy (kB)               :           0.0000
 | Pyz (kB)               :           0.0000
 | Pzx (kB)               :           0.0000
 | PSTRESS (kB)           :             0.00
 | E-FERMI (eV)           :          -3.5852
 | VOLUME (Ang^3)         :         128.9400
 
  AFFINE PURE DEFORMATION      029/042
  ----------------------------------------------------------------------------- 
 | Before affine uniaxial tensile deformation, the three lattice vectors:
 | 
 |       0.000000001299      3.132213875339      0.000000000000
 |      -2.058318253889     -1.566106568330      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 | 
 | -----------------------------------------
 | Tensile and shearing strain:  0.0078  0.0000
 | -----------------------------------------
 | Strain matrix is as follows:
 |           1.0000  0.0000  0.0000
 |           0.0000  1.0078  0.0000
 |           0.0000  0.0000  1.0000
 | -----------------------------------------
 | 
 | After affine uniaxial tensile deformation, the three lattice vectors:
 | 
 |       0.000000001299      3.156684296240      0.000000000000
 |      -2.058318253889     -1.578341775895      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 
  AFFINE DEFORMATION      029/042
  ----------------------------------------------------------------------------- 
 | FREE ENERGY TOTEN      :     -17.47677535
 | ENERGY WITHOUT ENTROPY :     -17.47677535
 | ENERGY(SIMGA->0)       :     -17.47677535
 | Pxx (kB)               :           0.0024
 | Pyy (kB)               :        -202.4159
 | Pzz (kB)               :          -0.1279
 | Pxy (kB)               :           0.0000
 | Pyz (kB)               :           0.0000
 | Pzx (kB)               :           0.0000
 | PSTRESS (kB)           :             0.00
 | E-FERMI (eV)           :          -3.7432
 | VOLUME (Ang^3)         :         129.9400
 
  AFFINE PURE DEFORMATION      030/042
  ----------------------------------------------------------------------------- 
 | Before affine uniaxial tensile deformation, the three lattice vectors:
 | 
 |       0.000000000934      3.156684296240      0.000000000000
 |      -2.058130369944     -1.578341775657      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 | 
 | -----------------------------------------
 | Tensile and shearing strain:  0.0078  0.0000
 | -----------------------------------------
 | Strain matrix is as follows:
 |           1.0000  0.0000  0.0000
 |           0.0000  1.0078  0.0000
 |           0.0000  0.0000  1.0000
 | -----------------------------------------
 | 
 | After affine uniaxial tensile deformation, the three lattice vectors:
 | 
 |       0.000000000934      3.181154717141      0.000000000000
 |      -2.058130369944     -1.590576983220      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 
  AFFINE DEFORMATION      030/042
  ----------------------------------------------------------------------------- 
 | FREE ENERGY TOTEN      :     -17.34963694
 | ENERGY WITHOUT ENTROPY :     -17.34963654
 | ENERGY(SIMGA->0)       :     -17.34963674
 | Pxx (kB)               :           0.0012
 | Pyy (kB)               :        -202.3305
 | Pzz (kB)               :          -0.1250
 | Pxy (kB)               :           0.0000
 | Pyz (kB)               :           0.0000
 | Pzx (kB)               :           0.0000
 | PSTRESS (kB)           :             0.00
 | E-FERMI (eV)           :          -3.8806
 | VOLUME (Ang^3)         :         130.9400
 
  AFFINE PURE DEFORMATION      031/042
  ----------------------------------------------------------------------------- 
 | Before affine uniaxial tensile deformation, the three lattice vectors:
 | 
 |       0.000000000585      3.181154717141      0.000000000000
 |      -2.058035570898     -1.590576982994      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 | 
 | -----------------------------------------
 | Tensile and shearing strain:  0.0077  0.0000
 | -----------------------------------------
 | Strain matrix is as follows:
 |           1.0000  0.0000  0.0000
 |           0.0000  1.0077  0.0000
 |           0.0000  0.0000  1.0000
 | -----------------------------------------
 | 
 | After affine uniaxial tensile deformation, the three lattice vectors:
 | 
 |       0.000000000585      3.205625138042      0.000000000000
 |      -2.058035570898     -1.602812190555      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 
  AFFINE DEFORMATION      031/042
  ----------------------------------------------------------------------------- 
 | FREE ENERGY TOTEN      :     -17.22298511
 | ENERGY WITHOUT ENTROPY :     -17.22298510
 | ENERGY(SIMGA->0)       :     -17.22298510
 | Pxx (kB)               :           0.0166
 | Pyy (kB)               :        -201.4632
 | Pzz (kB)               :          -0.1206
 | Pxy (kB)               :           0.0000
 | Pyz (kB)               :           0.0000
 | Pzx (kB)               :           0.0000
 | PSTRESS (kB)           :             0.00
 | E-FERMI (eV)           :          -3.9933
 | VOLUME (Ang^3)         :         131.7200
 
  AFFINE PURE DEFORMATION      032/042
  ----------------------------------------------------------------------------- 
 | Before affine uniaxial tensile deformation, the three lattice vectors:
 | 
 |       0.000000001352      3.205625138042      0.000000000000
 |      -2.054494530331     -1.602812191048      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 | 
 | -----------------------------------------
 | Tensile and shearing strain:  0.0076  0.0000
 | -----------------------------------------
 | Strain matrix is as follows:
 |           1.0000  0.0000  0.0000
 |           0.0000  1.0076  0.0000
 |           0.0000  0.0000  1.0000
 | -----------------------------------------
 | 
 | After affine uniaxial tensile deformation, the three lattice vectors:
 | 
 |       0.000000001352      3.230095558943      0.000000000000
 |      -2.054494530331     -1.615047398613      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 
  AFFINE DEFORMATION      032/042
  ----------------------------------------------------------------------------- 
 | FREE ENERGY TOTEN      :     -17.09672773
 | ENERGY WITHOUT ENTROPY :     -17.09672767
 | ENERGY(SIMGA->0)       :     -17.09672770
 | Pxx (kB)               :           0.0077
 | Pyy (kB)               :        -201.1018
 | Pzz (kB)               :          -0.1238
 | Pxy (kB)               :           0.0000
 | Pyz (kB)               :           0.0000
 | Pzx (kB)               :           0.0000
 | PSTRESS (kB)           :             0.00
 | E-FERMI (eV)           :          -4.1048
 | VOLUME (Ang^3)         :         132.7300
 
  AFFINE PURE DEFORMATION      033/042
  ----------------------------------------------------------------------------- 
 | Before affine uniaxial tensile deformation, the three lattice vectors:
 | 
 |       0.000000000885      3.230095558943      0.000000000000
 |      -2.054544995038     -1.615047398316      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 | 
 | -----------------------------------------
 | Tensile and shearing strain:  0.0076  0.0000
 | -----------------------------------------
 | Strain matrix is as follows:
 |           1.0000  0.0000  0.0000
 |           0.0000  1.0076  0.0000
 |           0.0000  0.0000  1.0000
 | -----------------------------------------
 | 
 | After affine uniaxial tensile deformation, the three lattice vectors:
 | 
 |       0.000000000885      3.254565979844      0.000000000000
 |      -2.054544995038     -1.627282605879      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 
  AFFINE DEFORMATION      033/042
  ----------------------------------------------------------------------------- 
 | FREE ENERGY TOTEN      :     -16.97203599
 | ENERGY WITHOUT ENTROPY :     -16.97203599
 | ENERGY(SIMGA->0)       :     -16.97203599
 | Pxx (kB)               :           0.0085
 | Pyy (kB)               :        -198.8509
 | Pzz (kB)               :          -0.1256
 | Pxy (kB)               :           0.0000
 | Pyz (kB)               :           0.0000
 | Pzx (kB)               :           0.0000
 | PSTRESS (kB)           :             0.00
 | E-FERMI (eV)           :          -4.1979
 | VOLUME (Ang^3)         :         133.2400
 
  AFFINE PURE DEFORMATION      034/042
  ----------------------------------------------------------------------------- 
 | Before affine uniaxial tensile deformation, the three lattice vectors:
 | 
 |       0.000000002447      3.254565979844      0.000000000000
 |      -2.046927884028     -1.627282606868      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 | 
 | -----------------------------------------
 | Tensile and shearing strain:  0.0075  0.0000
 | -----------------------------------------
 | Strain matrix is as follows:
 |           1.0000  0.0000  0.0000
 |           0.0000  1.0075  0.0000
 |           0.0000  0.0000  1.0000
 | -----------------------------------------
 | 
 | After affine uniaxial tensile deformation, the three lattice vectors:
 | 
 |       0.000000002447      3.279036400745      0.000000000000
 |      -2.046927884028     -1.639517814438      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 
  AFFINE DEFORMATION      034/042
  ----------------------------------------------------------------------------- 
 | FREE ENERGY TOTEN      :     -16.84786331
 | ENERGY WITHOUT ENTROPY :     -16.84786331
 | ENERGY(SIMGA->0)       :     -16.84786331
 | Pxx (kB)               :          -0.0025
 | Pyy (kB)               :        -198.4241
 | Pzz (kB)               :          -0.1211
 | Pxy (kB)               :           0.0000
 | Pyz (kB)               :           0.0000
 | Pzx (kB)               :           0.0000
 | PSTRESS (kB)           :             0.00
 | E-FERMI (eV)           :          -4.3014
 | VOLUME (Ang^3)         :         134.2500
 
  AFFINE PURE DEFORMATION      035/042
  ----------------------------------------------------------------------------- 
 | Before affine uniaxial tensile deformation, the three lattice vectors:
 | 
 |       0.000000001629      3.279036400745      0.000000000000
 |      -2.047021003292     -1.639517813927      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 | 
 | -----------------------------------------
 | Tensile and shearing strain:  0.0075  0.0000
 | -----------------------------------------
 | Strain matrix is as follows:
 |           1.0000  0.0000  0.0000
 |           0.0000  1.0075  0.0000
 |           0.0000  0.0000  1.0000
 | -----------------------------------------
 | 
 | After affine uniaxial tensile deformation, the three lattice vectors:
 | 
 |       0.000000001629      3.303506821646      0.000000000000
 |      -2.047021003292     -1.651753021494      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 
  AFFINE DEFORMATION      035/042
  ----------------------------------------------------------------------------- 
 | FREE ENERGY TOTEN      :     -16.72405045
 | ENERGY WITHOUT ENTROPY :     -16.72405045
 | ENERGY(SIMGA->0)       :     -16.72405045
 | Pxx (kB)               :          -0.0025
 | Pyy (kB)               :        -197.8164
 | Pzz (kB)               :          -0.1197
 | Pxy (kB)               :           0.0000
 | Pyz (kB)               :           0.0000
 | Pzx (kB)               :           0.0000
 | PSTRESS (kB)           :             0.00
 | E-FERMI (eV)           :          -4.4178
 | VOLUME (Ang^3)         :         135.2600
 
  AFFINE PURE DEFORMATION      036/042
  ----------------------------------------------------------------------------- 
 | Before affine uniaxial tensile deformation, the three lattice vectors:
 | 
 |       0.000000001040      3.303506821646      0.000000000000
 |      -2.047145356591     -1.651753021129      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 | 
 | -----------------------------------------
 | Tensile and shearing strain:  0.0074  0.0000
 | -----------------------------------------
 | Strain matrix is as follows:
 |           1.0000  0.0000  0.0000
 |           0.0000  1.0074  0.0000
 |           0.0000  0.0000  1.0000
 | -----------------------------------------
 | 
 | After affine uniaxial tensile deformation, the three lattice vectors:
 | 
 |       0.000000001040      3.327977242547      0.000000000000
 |      -2.047145356591     -1.663988228693      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 
  AFFINE DEFORMATION      036/042
  ----------------------------------------------------------------------------- 
 | FREE ENERGY TOTEN      :     -16.60066045
 | ENERGY WITHOUT ENTROPY :     -16.60066045
 | ENERGY(SIMGA->0)       :     -16.60066045
 | Pxx (kB)               :          -0.0025
 | Pyy (kB)               :        -197.0345
 | Pzz (kB)               :          -0.1184
 | Pxy (kB)               :           0.0000
 | Pyz (kB)               :           0.0000
 | Pzx (kB)               :           0.0000
 | PSTRESS (kB)           :             0.00
 | E-FERMI (eV)           :          -4.5513
 | VOLUME (Ang^3)         :         136.2700
 
  AFFINE PURE DEFORMATION      037/042
  ----------------------------------------------------------------------------- 
 | Before affine uniaxial tensile deformation, the three lattice vectors:
 | 
 |       0.000000000608      3.327977242547      0.000000000000
 |      -2.047333225792     -1.663988228427      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 | 
 | -----------------------------------------
 | Tensile and shearing strain:  0.0074  0.0000
 | -----------------------------------------
 | Strain matrix is as follows:
 |           1.0000  0.0000  0.0000
 |           0.0000  1.0074  0.0000
 |           0.0000  0.0000  1.0000
 | -----------------------------------------
 | 
 | After affine uniaxial tensile deformation, the three lattice vectors:
 | 
 |       0.000000000608      3.352447663448      0.000000000000
 |      -2.047333225792     -1.676223435989      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 
  AFFINE DEFORMATION      037/042
  ----------------------------------------------------------------------------- 
 | FREE ENERGY TOTEN      :     -16.47780110
 | ENERGY WITHOUT ENTROPY :     -16.47780110
 | ENERGY(SIMGA->0)       :     -16.47780110
 | Pxx (kB)               :          -0.0023
 | Pyy (kB)               :        -196.0883
 | Pzz (kB)               :          -0.1173
 | Pxy (kB)               :           0.0000
 | Pyz (kB)               :           0.0000
 | Pzx (kB)               :           0.0000
 | PSTRESS (kB)           :             0.00
 | E-FERMI (eV)           :          -4.6393
 | VOLUME (Ang^3)         :         137.2900
 
  AFFINE PURE DEFORMATION      038/042
  ----------------------------------------------------------------------------- 
 | Before affine uniaxial tensile deformation, the three lattice vectors:
 | 
 |       0.000000000290      3.352447663448      0.000000000000
 |      -2.047579293390     -1.676223435795      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 | 
 | -----------------------------------------
 | Tensile and shearing strain:  0.0073  0.0000
 | -----------------------------------------
 | Strain matrix is as follows:
 |           1.0000  0.0000  0.0000
 |           0.0000  1.0073  0.0000
 |           0.0000  0.0000  1.0000
 | -----------------------------------------
 | 
 | After affine uniaxial tensile deformation, the three lattice vectors:
 | 
 |       0.000000000290      3.376918084349      0.000000000000
 |      -2.047579293390     -1.688458643356      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 
  AFFINE DEFORMATION      038/042
  ----------------------------------------------------------------------------- 
 | FREE ENERGY TOTEN      :     -16.35556008
 | ENERGY WITHOUT ENTROPY :     -16.35555425
 | ENERGY(SIMGA->0)       :     -16.35555716
 | Pxx (kB)               :          -0.0001
 | Pyy (kB)               :        -194.9764
 | Pzz (kB)               :          -0.1144
 | Pxy (kB)               :           0.0000
 | Pyz (kB)               :           0.0000
 | Pzx (kB)               :           0.0000
 | PSTRESS (kB)           :             0.00
 | E-FERMI (eV)           :          -4.7209
 | VOLUME (Ang^3)         :         138.3100
 
  AFFINE PURE DEFORMATION      039/042
  ----------------------------------------------------------------------------- 
 | Before affine uniaxial tensile deformation, the three lattice vectors:
 | 
 |       0.000000000028      3.376918084349      0.000000000000
 |      -2.047820856138     -1.688458643197      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 | 
 | -----------------------------------------
 | Tensile and shearing strain:  0.0072  0.0000
 | -----------------------------------------
 | Strain matrix is as follows:
 |           1.0000  0.0000  0.0000
 |           0.0000  1.0072  0.0000
 |           0.0000  0.0000  1.0000
 | -----------------------------------------
 | 
 | After affine uniaxial tensile deformation, the three lattice vectors:
 | 
 |       0.000000000028      3.401388505250      0.000000000000
 |      -2.047820856138     -1.700693850756      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 
  AFFINE DEFORMATION      039/042
  ----------------------------------------------------------------------------- 
 | FREE ENERGY TOTEN      :     -16.23507697
 | ENERGY WITHOUT ENTROPY :     -16.23507391
 | ENERGY(SIMGA->0)       :     -16.23507544
 | Pxx (kB)               :          -0.0005
 | Pyy (kB)               :        -192.6545
 | Pzz (kB)               :          -0.1173
 | Pxy (kB)               :           0.0000
 | Pyz (kB)               :           0.0000
 | Pzx (kB)               :           0.0000
 | PSTRESS (kB)           :             0.00
 | E-FERMI (eV)           :          -4.7829
 | VOLUME (Ang^3)         :         138.5900
 
  AFFINE PURE DEFORMATION      040/042
  ----------------------------------------------------------------------------- 
 | Before affine uniaxial tensile deformation, the three lattice vectors:
 | 
 |       0.000000002447      3.401388505250      0.000000000000
 |      -2.037290050869     -1.700693852215      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 | 
 | -----------------------------------------
 | Tensile and shearing strain:  0.0072  0.0000
 | -----------------------------------------
 | Strain matrix is as follows:
 |           1.0000  0.0000  0.0000
 |           0.0000  1.0072  0.0000
 |           0.0000  0.0000  1.0000
 | -----------------------------------------
 | 
 | After affine uniaxial tensile deformation, the three lattice vectors:
 | 
 |       0.000000002447      3.425858926151      0.000000000000
 |      -2.037290050869     -1.712929059785      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 
  AFFINE DEFORMATION      040/042
  ----------------------------------------------------------------------------- 
 | FREE ENERGY TOTEN      :     -16.11554724
 | ENERGY WITHOUT ENTROPY :     -16.11554604
 | ENERGY(SIMGA->0)       :     -16.11554664
 | Pxx (kB)               :           0.0008
 | Pyy (kB)               :        -191.4811
 | Pzz (kB)               :          -0.1141
 | Pxy (kB)               :           0.0000
 | Pyz (kB)               :           0.0000
 | Pzx (kB)               :           0.0000
 | PSTRESS (kB)           :             0.00
 | E-FERMI (eV)           :          -4.8541
 | VOLUME (Ang^3)         :         139.6100
 
  AFFINE PURE DEFORMATION      041/042
  ----------------------------------------------------------------------------- 
 | Before affine uniaxial tensile deformation, the three lattice vectors:
 | 
 |       0.000000001477      3.425858926151      0.000000000000
 |      -2.037565071503     -1.712929059208      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 | 
 | -----------------------------------------
 | Tensile and shearing strain:  0.0071  0.0000
 | -----------------------------------------
 | Strain matrix is as follows:
 |           1.0000  0.0000  0.0000
 |           0.0000  1.0071  0.0000
 |           0.0000  0.0000  1.0000
 | -----------------------------------------
 | 
 | After affine uniaxial tensile deformation, the three lattice vectors:
 | 
 |       0.000000001477      3.450329347052      0.000000000000
 |      -2.037565071503     -1.725164266774      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 
  AFFINE DEFORMATION      041/042
  ----------------------------------------------------------------------------- 
 | FREE ENERGY TOTEN      :     -15.99704011
 | ENERGY WITHOUT ENTROPY :     -15.99698368
 | ENERGY(SIMGA->0)       :     -15.99701189
 | Pxx (kB)               :          -0.0010
 | Pyy (kB)               :        -189.6685
 | Pzz (kB)               :          -0.1159
 | Pxy (kB)               :           0.0000
 | Pyz (kB)               :           0.0000
 | Pzx (kB)               :           0.0000
 | PSTRESS (kB)           :             0.00
 | E-FERMI (eV)           :          -4.9108
 | VOLUME (Ang^3)         :         140.3300
 
  AFFINE PURE DEFORMATION      042/042
  ----------------------------------------------------------------------------- 
 | Before affine uniaxial tensile deformation, the three lattice vectors:
 | 
 |       0.000000001846      3.450329347052      0.000000000000
 |      -2.033610165610     -1.725164266994      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 | 
 | -----------------------------------------
 | Tensile and shearing strain:  0.0071  0.0000
 | -----------------------------------------
 | Strain matrix is as follows:
 |           1.0000  0.0000  0.0000
 |           0.0000  1.0071  0.0000
 |           0.0000  0.0000  1.0000
 | -----------------------------------------
 | 
 | After affine uniaxial tensile deformation, the three lattice vectors:
 | 
 |       0.000000001846      3.474799767953      0.000000000000
 |      -2.033610165610     -1.737399474561      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 
  AFFINE DEFORMATION      042/042
  ----------------------------------------------------------------------------- 
 | FREE ENERGY TOTEN      :     -15.87974823
 | ENERGY WITHOUT ENTROPY :     -15.87969168
 | ENERGY(SIMGA->0)       :     -15.87971996
 | Pxx (kB)               :          -0.0005
 | Pyy (kB)               :        -187.8870
 | Pzz (kB)               :          -0.1129
 | Pxy (kB)               :           0.0000
 | Pyz (kB)               :           0.0000
 | Pzx (kB)               :           0.0000
 | PSTRESS (kB)           :             0.00
 | E-FERMI (eV)           :          -4.9718
 | VOLUME (Ang^3)         :         141.0500
