 
  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 0.000pi
 | -----------------------------------------
 | 
 | After Projction, the three lattice vectors:
 | 
 |       2.447042090111      0.000000000000      0.000000000000
 |      -1.223521045055      2.119200614245      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 biaxial tensile deformation, the three lattice vectors:
 | 
 |       2.447042090111      0.000000000000      0.000000000000
 |      -1.223521045055      2.119200614245      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 biaxial tensile deformation, the three lattice vectors:
 | 
 |       2.447042090111      0.000000000000      0.000000000000
 |      -1.223521045055      2.119200614245      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 biaxial tensile deformation, the three lattice vectors:
 | 
 |       2.447042090111      0.000000000000      0.000000000000
 |      -1.223521045055      2.119200614245      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 | 
 | -----------------------------------------
 | Tensile and shearing strain:  0.0100  0.0000
 | -----------------------------------------
 | Strain matrix is as follows:
 |           1.0100  0.0000  0.0000
 |           0.0000  1.0100  0.0000
 |           0.0000  0.0000  1.0000
 | -----------------------------------------
 | 
 | After affine biaxial tensile deformation, the three lattice vectors:
 | 
 |       2.471512511012      0.000000000000      0.000000000000
 |      -1.235756255506      2.140392620387      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 
  AFFINE DEFORMATION      001/042
  ----------------------------------------------------------------------------- 
 | FREE ENERGY TOTEN      :     -20.16354453
 | ENERGY WITHOUT ENTROPY :     -20.16354453
 | ENERGY(SIMGA->0)       :     -20.16354453
 | Pxx (kB)               :         -20.6052
 | Pyy (kB)               :         -20.6052
 | Pzz (kB)               :          -0.2035
 | Pxy (kB)               :           0.0000
 | Pyz (kB)               :           0.0000
 | Pzx (kB)               :           0.0000
 | PSTRESS (kB)           :             0.00
 | E-FERMI (eV)           :          -3.4257
 | VOLUME (Ang^3)         :         105.8000
 
  AFFINE PURE DEFORMATION      002/042
  ----------------------------------------------------------------------------- 
 | Before affine biaxial tensile deformation, the three lattice vectors:
 | 
 |       2.471512511012      0.000000000000      0.000000000000
 |      -1.235756255506      2.140392620387      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 | 
 | -----------------------------------------
 | Tensile and shearing strain:  0.0099  0.0000
 | -----------------------------------------
 | Strain matrix is as follows:
 |           1.0099  0.0000  0.0000
 |           0.0000  1.0099  0.0000
 |           0.0000  0.0000  1.0000
 | -----------------------------------------
 | 
 | After affine biaxial tensile deformation, the three lattice vectors:
 | 
 |       2.495982931913      0.000000000000      0.000000000000
 |      -1.247991465957      2.161584626529      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 
  AFFINE DEFORMATION      002/042
  ----------------------------------------------------------------------------- 
 | FREE ENERGY TOTEN      :     -20.12437510
 | ENERGY WITHOUT ENTROPY :     -20.12437510
 | ENERGY(SIMGA->0)       :     -20.12437510
 | Pxx (kB)               :         -39.3214
 | Pyy (kB)               :         -39.3214
 | Pzz (kB)               :          -0.1901
 | Pxy (kB)               :           0.0000
 | Pyz (kB)               :           0.0000
 | Pzx (kB)               :           0.0000
 | PSTRESS (kB)           :             0.00
 | E-FERMI (eV)           :          -3.4490
 | VOLUME (Ang^3)         :         107.9100
 
  AFFINE PURE DEFORMATION      003/042
  ----------------------------------------------------------------------------- 
 | Before affine biaxial tensile deformation, the three lattice vectors:
 | 
 |       2.495982931913      0.000000000000      0.000000000000
 |      -1.247991465957      2.161584626529      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 | 
 | -----------------------------------------
 | Tensile and shearing strain:  0.0098  0.0000
 | -----------------------------------------
 | Strain matrix is as follows:
 |           1.0098  0.0000  0.0000
 |           0.0000  1.0098  0.0000
 |           0.0000  0.0000  1.0000
 | -----------------------------------------
 | 
 | After affine biaxial tensile deformation, the three lattice vectors:
 | 
 |       2.520453352814      0.000000000000      0.000000000000
 |      -1.260226676408      2.182776632671      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 
  AFFINE DEFORMATION      003/042
  ----------------------------------------------------------------------------- 
 | FREE ENERGY TOTEN      :     -20.06114583
 | ENERGY WITHOUT ENTROPY :     -20.06114583
 | ENERGY(SIMGA->0)       :     -20.06114583
 | Pxx (kB)               :         -56.2724
 | Pyy (kB)               :         -56.2724
 | Pzz (kB)               :          -0.1796
 | Pxy (kB)               :           0.0000
 | Pyz (kB)               :           0.0000
 | Pzx (kB)               :           0.0000
 | PSTRESS (kB)           :             0.00
 | E-FERMI (eV)           :          -3.5390
 | VOLUME (Ang^3)         :         110.0300
 
  AFFINE PURE DEFORMATION      004/042
  ----------------------------------------------------------------------------- 
 | Before affine biaxial tensile deformation, the three lattice vectors:
 | 
 |       2.520453352814      0.000000000000      0.000000000000
 |      -1.260226676408      2.182776632671      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 | 
 | -----------------------------------------
 | Tensile and shearing strain:  0.0097  0.0000
 | -----------------------------------------
 | Strain matrix is as follows:
 |           1.0097  0.0000  0.0000
 |           0.0000  1.0097  0.0000
 |           0.0000  0.0000  1.0000
 | -----------------------------------------
 | 
 | After affine biaxial tensile deformation, the three lattice vectors:
 | 
 |       2.544923773715      0.000000000000      0.000000000000
 |      -1.272461886859      2.203968638813      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 
  AFFINE DEFORMATION      004/042
  ----------------------------------------------------------------------------- 
 | FREE ENERGY TOTEN      :     -19.97570363
 | ENERGY WITHOUT ENTROPY :     -19.97570363
 | ENERGY(SIMGA->0)       :     -19.97570363
 | Pxx (kB)               :         -71.5973
 | Pyy (kB)               :         -71.5973
 | Pzz (kB)               :          -0.1701
 | Pxy (kB)               :           0.0000
 | Pyz (kB)               :           0.0000
 | Pzx (kB)               :           0.0000
 | PSTRESS (kB)           :             0.00
 | E-FERMI (eV)           :          -3.6279
 | VOLUME (Ang^3)         :         112.1800
 
  AFFINE PURE DEFORMATION      005/042
  ----------------------------------------------------------------------------- 
 | Before affine biaxial tensile deformation, the three lattice vectors:
 | 
 |       2.544923773715      0.000000000000      0.000000000000
 |      -1.272461886859      2.203968638813      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 | 
 | -----------------------------------------
 | Tensile and shearing strain:  0.0096  0.0000
 | -----------------------------------------
 | Strain matrix is as follows:
 |           1.0096  0.0000  0.0000
 |           0.0000  1.0096  0.0000
 |           0.0000  0.0000  1.0000
 | -----------------------------------------
 | 
 | After affine biaxial tensile deformation, the three lattice vectors:
 | 
 |       2.569394194616      0.000000000000      0.000000000000
 |      -1.284697097310      2.225160644955      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 
  AFFINE DEFORMATION      005/042
  ----------------------------------------------------------------------------- 
 | FREE ENERGY TOTEN      :     -19.86970439
 | ENERGY WITHOUT ENTROPY :     -19.86970439
 | ENERGY(SIMGA->0)       :     -19.86970439
 | Pxx (kB)               :         -85.4091
 | Pyy (kB)               :         -85.4091
 | Pzz (kB)               :          -0.1618
 | Pxy (kB)               :           0.0000
 | Pyz (kB)               :           0.0000
 | Pzx (kB)               :           0.0000
 | PSTRESS (kB)           :             0.00
 | E-FERMI (eV)           :          -3.7165
 | VOLUME (Ang^3)         :         114.3500
 
  AFFINE PURE DEFORMATION      006/042
  ----------------------------------------------------------------------------- 
 | Before affine biaxial tensile deformation, the three lattice vectors:
 | 
 |       2.569394194616      0.000000000000      0.000000000000
 |      -1.284697097310      2.225160644955      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 | 
 | -----------------------------------------
 | Tensile and shearing strain:  0.0095  0.0000
 | -----------------------------------------
 | Strain matrix is as follows:
 |           1.0095  0.0000  0.0000
 |           0.0000  1.0095  0.0000
 |           0.0000  0.0000  1.0000
 | -----------------------------------------
 | 
 | After affine biaxial tensile deformation, the three lattice vectors:
 | 
 |       2.593864615517      0.000000000000      0.000000000000
 |      -1.296932307761      2.246352651097      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 
  AFFINE DEFORMATION      006/042
  ----------------------------------------------------------------------------- 
 | FREE ENERGY TOTEN      :     -19.74478112
 | ENERGY WITHOUT ENTROPY :     -19.74478112
 | ENERGY(SIMGA->0)       :     -19.74478112
 | Pxx (kB)               :         -97.8224
 | Pyy (kB)               :         -97.8224
 | Pzz (kB)               :          -0.1539
 | Pxy (kB)               :           0.0000
 | Pyz (kB)               :           0.0000
 | Pzx (kB)               :           0.0000
 | PSTRESS (kB)           :             0.00
 | E-FERMI (eV)           :          -3.8338
 | VOLUME (Ang^3)         :         116.5300
 
  AFFINE PURE DEFORMATION      007/042
  ----------------------------------------------------------------------------- 
 | Before affine biaxial tensile deformation, the three lattice vectors:
 | 
 |       2.593864615517      0.000000000000      0.000000000000
 |      -1.296932307761      2.246352651097      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 | 
 | -----------------------------------------
 | Tensile and shearing strain:  0.0094  0.0000
 | -----------------------------------------
 | Strain matrix is as follows:
 |           1.0094  0.0000  0.0000
 |           0.0000  1.0094  0.0000
 |           0.0000  0.0000  1.0000
 | -----------------------------------------
 | 
 | After affine biaxial tensile deformation, the three lattice vectors:
 | 
 |       2.618335036418      0.000000000000      0.000000000000
 |      -1.309167518212      2.267544657239      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 
  AFFINE DEFORMATION      007/042
  ----------------------------------------------------------------------------- 
 | FREE ENERGY TOTEN      :     -19.60244997
 | ENERGY WITHOUT ENTROPY :     -19.60244997
 | ENERGY(SIMGA->0)       :     -19.60244997
 | Pxx (kB)               :        -108.9390
 | Pyy (kB)               :        -108.9390
 | Pzz (kB)               :          -0.1470
 | Pxy (kB)               :           0.0000
 | Pyz (kB)               :           0.0000
 | Pzx (kB)               :           0.0000
 | PSTRESS (kB)           :             0.00
 | E-FERMI (eV)           :          -3.9047
 | VOLUME (Ang^3)         :         118.7400
 
  AFFINE PURE DEFORMATION      008/042
  ----------------------------------------------------------------------------- 
 | Before affine biaxial tensile deformation, the three lattice vectors:
 | 
 |       2.618335036418      0.000000000000      0.000000000000
 |      -1.309167518212      2.267544657239      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 | 
 | -----------------------------------------
 | Tensile and shearing strain:  0.0093  0.0000
 | -----------------------------------------
 | Strain matrix is as follows:
 |           1.0093  0.0000  0.0000
 |           0.0000  1.0093  0.0000
 |           0.0000  0.0000  1.0000
 | -----------------------------------------
 | 
 | After affine biaxial tensile deformation, the three lattice vectors:
 | 
 |       2.642805457319      0.000000000000      0.000000000000
 |      -1.321402728663      2.288736663381      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 
  AFFINE DEFORMATION      008/042
  ----------------------------------------------------------------------------- 
 | FREE ENERGY TOTEN      :     -19.44413499
 | ENERGY WITHOUT ENTROPY :     -19.44413499
 | ENERGY(SIMGA->0)       :     -19.44413499
 | Pxx (kB)               :        -118.8512
 | Pyy (kB)               :        -118.8512
 | Pzz (kB)               :          -0.1406
 | Pxy (kB)               :           0.0000
 | Pyz (kB)               :           0.0000
 | Pzx (kB)               :           0.0000
 | PSTRESS (kB)           :             0.00
 | E-FERMI (eV)           :          -3.9604
 | VOLUME (Ang^3)         :         120.9700
 
  AFFINE PURE DEFORMATION      009/042
  ----------------------------------------------------------------------------- 
 | Before affine biaxial tensile deformation, the three lattice vectors:
 | 
 |       2.642805457319      0.000000000000      0.000000000000
 |      -1.321402728663      2.288736663381      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 | 
 | -----------------------------------------
 | Tensile and shearing strain:  0.0093  0.0000
 | -----------------------------------------
 | Strain matrix is as follows:
 |           1.0093  0.0000  0.0000
 |           0.0000  1.0093  0.0000
 |           0.0000  0.0000  1.0000
 | -----------------------------------------
 | 
 | After affine biaxial tensile deformation, the three lattice vectors:
 | 
 |       2.667275878220      0.000000000000      0.000000000000
 |      -1.333637939114      2.309928669523      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 
  AFFINE DEFORMATION      009/042
  ----------------------------------------------------------------------------- 
 | FREE ENERGY TOTEN      :     -19.27119029
 | ENERGY WITHOUT ENTROPY :     -19.27119029
 | ENERGY(SIMGA->0)       :     -19.27119029
 | Pxx (kB)               :        -127.6478
 | Pyy (kB)               :        -127.6478
 | Pzz (kB)               :          -0.1343
 | Pxy (kB)               :           0.0000
 | Pyz (kB)               :           0.0000
 | Pzx (kB)               :           0.0000
 | PSTRESS (kB)           :             0.00
 | E-FERMI (eV)           :          -3.9348
 | VOLUME (Ang^3)         :         123.2200
 
  AFFINE PURE DEFORMATION      010/042
  ----------------------------------------------------------------------------- 
 | Before affine biaxial tensile deformation, the three lattice vectors:
 | 
 |       2.667275878220      0.000000000000      0.000000000000
 |      -1.333637939114      2.309928669523      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 | 
 | -----------------------------------------
 | Tensile and shearing strain:  0.0092  0.0000
 | -----------------------------------------
 | Strain matrix is as follows:
 |           1.0092  0.0000  0.0000
 |           0.0000  1.0092  0.0000
 |           0.0000  0.0000  1.0000
 | -----------------------------------------
 | 
 | After affine biaxial tensile deformation, the three lattice vectors:
 | 
 |       2.691746299121      0.000000000000      0.000000000000
 |      -1.345873149565      2.331120675665      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 
  AFFINE DEFORMATION      010/042
  ----------------------------------------------------------------------------- 
 | FREE ENERGY TOTEN      :     -19.08490268
 | ENERGY WITHOUT ENTROPY :     -19.08490268
 | ENERGY(SIMGA->0)       :     -19.08490268
 | Pxx (kB)               :        -135.4087
 | Pyy (kB)               :        -135.4087
 | Pzz (kB)               :          -0.1273
 | Pxy (kB)               :           0.0000
 | Pyz (kB)               :           0.0000
 | Pzx (kB)               :           0.0000
 | PSTRESS (kB)           :             0.00
 | E-FERMI (eV)           :          -4.0247
 | VOLUME (Ang^3)         :         125.5000
 
  AFFINE PURE DEFORMATION      011/042
  ----------------------------------------------------------------------------- 
 | Before affine biaxial tensile deformation, the three lattice vectors:
 | 
 |       2.691746299121      0.000000000000      0.000000000000
 |      -1.345873149565      2.331120675665      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 | 
 | -----------------------------------------
 | Tensile and shearing strain:  0.0091  0.0000
 | -----------------------------------------
 | Strain matrix is as follows:
 |           1.0091  0.0000  0.0000
 |           0.0000  1.0091  0.0000
 |           0.0000  0.0000  1.0000
 | -----------------------------------------
 | 
 | After affine biaxial tensile deformation, the three lattice vectors:
 | 
 |       2.716216720022      0.000000000000      0.000000000000
 |      -1.358108360016      2.352312681807      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 
  AFFINE DEFORMATION      011/042
  ----------------------------------------------------------------------------- 
 | FREE ENERGY TOTEN      :     -18.88648806
 | ENERGY WITHOUT ENTROPY :     -18.88648806
 | ENERGY(SIMGA->0)       :     -18.88648806
 | Pxx (kB)               :        -142.2086
 | Pyy (kB)               :        -142.2086
 | Pzz (kB)               :          -0.1222
 | Pxy (kB)               :           0.0000
 | Pyz (kB)               :           0.0000
 | Pzx (kB)               :           0.0000
 | PSTRESS (kB)           :             0.00
 | E-FERMI (eV)           :          -4.1103
 | VOLUME (Ang^3)         :         127.7900
 
  AFFINE PURE DEFORMATION      012/042
  ----------------------------------------------------------------------------- 
 | Before affine biaxial tensile deformation, the three lattice vectors:
 | 
 |       2.716216720022      0.000000000000      0.000000000000
 |      -1.358108360016      2.352312681807      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 | 
 | -----------------------------------------
 | Tensile and shearing strain:  0.0090  0.0000
 | -----------------------------------------
 | Strain matrix is as follows:
 |           1.0090  0.0000  0.0000
 |           0.0000  1.0090  0.0000
 |           0.0000  0.0000  1.0000
 | -----------------------------------------
 | 
 | After affine biaxial tensile deformation, the three lattice vectors:
 | 
 |       2.740687140923      0.000000000000      0.000000000000
 |      -1.370343570467      2.373504687949      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 
  AFFINE DEFORMATION      012/042
  ----------------------------------------------------------------------------- 
 | FREE ENERGY TOTEN      :     -18.67708552
 | ENERGY WITHOUT ENTROPY :     -18.67708552
 | ENERGY(SIMGA->0)       :     -18.67708552
 | Pxx (kB)               :        -148.1193
 | Pyy (kB)               :        -148.1193
 | Pzz (kB)               :          -0.1164
 | Pxy (kB)               :           0.0000
 | Pyz (kB)               :           0.0000
 | Pzx (kB)               :           0.0000
 | PSTRESS (kB)           :             0.00
 | E-FERMI (eV)           :          -4.1924
 | VOLUME (Ang^3)         :         130.1000
 
  AFFINE PURE DEFORMATION      013/042
  ----------------------------------------------------------------------------- 
 | Before affine biaxial tensile deformation, the three lattice vectors:
 | 
 |       2.740687140923      0.000000000000      0.000000000000
 |      -1.370343570467      2.373504687949      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 | 
 | -----------------------------------------
 | Tensile and shearing strain:  0.0089  0.0000
 | -----------------------------------------
 | Strain matrix is as follows:
 |           1.0089  0.0000  0.0000
 |           0.0000  1.0089  0.0000
 |           0.0000  0.0000  1.0000
 | -----------------------------------------
 | 
 | After affine biaxial tensile deformation, the three lattice vectors:
 | 
 |       2.765157561824      0.000000000000      0.000000000000
 |      -1.382578780918      2.394696694091      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 
  AFFINE DEFORMATION      013/042
  ----------------------------------------------------------------------------- 
 | FREE ENERGY TOTEN      :     -18.45778556
 | ENERGY WITHOUT ENTROPY :     -18.45778556
 | ENERGY(SIMGA->0)       :     -18.45778556
 | Pxx (kB)               :        -153.2075
 | Pyy (kB)               :        -153.2075
 | Pzz (kB)               :          -0.1108
 | Pxy (kB)               :           0.0000
 | Pyz (kB)               :           0.0000
 | Pzx (kB)               :           0.0000
 | PSTRESS (kB)           :             0.00
 | E-FERMI (eV)           :          -4.2711
 | VOLUME (Ang^3)         :         132.4300
 
  AFFINE PURE DEFORMATION      014/042
  ----------------------------------------------------------------------------- 
 | Before affine biaxial tensile deformation, the three lattice vectors:
 | 
 |       2.765157561824      0.000000000000      0.000000000000
 |      -1.382578780918      2.394696694091      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 | 
 | -----------------------------------------
 | Tensile and shearing strain:  0.0088  0.0000
 | -----------------------------------------
 | Strain matrix is as follows:
 |           1.0088  0.0000  0.0000
 |           0.0000  1.0088  0.0000
 |           0.0000  0.0000  1.0000
 | -----------------------------------------
 | 
 | After affine biaxial tensile deformation, the three lattice vectors:
 | 
 |       2.789627982725      0.000000000000      0.000000000000
 |      -1.394813991369      2.415888700233      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 
  AFFINE DEFORMATION      014/042
  ----------------------------------------------------------------------------- 
 | FREE ENERGY TOTEN      :     -18.22961065
 | ENERGY WITHOUT ENTROPY :     -18.22961065
 | ENERGY(SIMGA->0)       :     -18.22961065
 | Pxx (kB)               :        -157.5348
 | Pyy (kB)               :        -157.5348
 | Pzz (kB)               :          -0.1077
 | Pxy (kB)               :           0.0000
 | Pyz (kB)               :           0.0000
 | Pzx (kB)               :           0.0000
 | PSTRESS (kB)           :             0.00
 | E-FERMI (eV)           :          -4.3466
 | VOLUME (Ang^3)         :         134.7900
 
  AFFINE PURE DEFORMATION      015/042
  ----------------------------------------------------------------------------- 
 | Before affine biaxial tensile deformation, the three lattice vectors:
 | 
 |       2.789627982725      0.000000000000      0.000000000000
 |      -1.394813991369      2.415888700233      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 | 
 | -----------------------------------------
 | Tensile and shearing strain:  0.0088  0.0000
 | -----------------------------------------
 | Strain matrix is as follows:
 |           1.0088  0.0000  0.0000
 |           0.0000  1.0088  0.0000
 |           0.0000  0.0000  1.0000
 | -----------------------------------------
 | 
 | After affine biaxial tensile deformation, the three lattice vectors:
 | 
 |       2.814098403626      0.000000000000      0.000000000000
 |      -1.407049201820      2.437080706375      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 
  AFFINE DEFORMATION      015/042
  ----------------------------------------------------------------------------- 
 | FREE ENERGY TOTEN      :     -17.99351763
 | ENERGY WITHOUT ENTROPY :     -17.99351763
 | ENERGY(SIMGA->0)       :     -17.99351763
 | Pxx (kB)               :        -161.1553
 | Pyy (kB)               :        -161.1553
 | Pzz (kB)               :          -0.1059
 | Pxy (kB)               :           0.0000
 | Pyz (kB)               :           0.0000
 | Pzx (kB)               :           0.0000
 | PSTRESS (kB)           :             0.00
 | E-FERMI (eV)           :          -4.4191
 | VOLUME (Ang^3)         :         137.1600
 
  AFFINE PURE DEFORMATION      016/042
  ----------------------------------------------------------------------------- 
 | Before affine biaxial tensile deformation, the three lattice vectors:
 | 
 |       2.814098403626      0.000000000000      0.000000000000
 |      -1.407049201820      2.437080706375      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 | 
 | -----------------------------------------
 | Tensile and shearing strain:  0.0087  0.0000
 | -----------------------------------------
 | Strain matrix is as follows:
 |           1.0087  0.0000  0.0000
 |           0.0000  1.0087  0.0000
 |           0.0000  0.0000  1.0000
 | -----------------------------------------
 | 
 | After affine biaxial tensile deformation, the three lattice vectors:
 | 
 |       2.838568824527      0.000000000000      0.000000000000
 |      -1.419284412271      2.458272712517      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 
  AFFINE DEFORMATION      016/042
  ----------------------------------------------------------------------------- 
 | FREE ENERGY TOTEN      :     -17.75043209
 | ENERGY WITHOUT ENTROPY :     -17.75043209
 | ENERGY(SIMGA->0)       :     -17.75043209
 | Pxx (kB)               :        -164.1261
 | Pyy (kB)               :        -164.1261
 | Pzz (kB)               :          -0.1032
 | Pxy (kB)               :           0.0000
 | Pyz (kB)               :           0.0000
 | Pzx (kB)               :           0.0000
 | PSTRESS (kB)           :             0.00
 | E-FERMI (eV)           :          -4.4527
 | VOLUME (Ang^3)         :         139.5600
 
  AFFINE PURE DEFORMATION      017/042
  ----------------------------------------------------------------------------- 
 | Before affine biaxial tensile deformation, the three lattice vectors:
 | 
 |       2.838568824527      0.000000000000      0.000000000000
 |      -1.419284412271      2.458272712517      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 | 
 | -----------------------------------------
 | Tensile and shearing strain:  0.0086  0.0000
 | -----------------------------------------
 | Strain matrix is as follows:
 |           1.0086  0.0000  0.0000
 |           0.0000  1.0086  0.0000
 |           0.0000  0.0000  1.0000
 | -----------------------------------------
 | 
 | After affine biaxial tensile deformation, the three lattice vectors:
 | 
 |       2.863039245428      0.000000000000      0.000000000000
 |      -1.431519622722      2.479464718659      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 
  AFFINE DEFORMATION      017/042
  ----------------------------------------------------------------------------- 
 | FREE ENERGY TOTEN      :     -17.50120834
 | ENERGY WITHOUT ENTROPY :     -17.50120834
 | ENERGY(SIMGA->0)       :     -17.50120834
 | Pxx (kB)               :        -166.4944
 | Pyy (kB)               :        -166.4944
 | Pzz (kB)               :          -0.1012
 | Pxy (kB)               :           0.0000
 | Pyz (kB)               :           0.0000
 | Pzx (kB)               :           0.0000
 | PSTRESS (kB)           :             0.00
 | E-FERMI (eV)           :          -4.5200
 | VOLUME (Ang^3)         :         141.9800
 
  AFFINE PURE DEFORMATION      018/042
  ----------------------------------------------------------------------------- 
 | Before affine biaxial tensile deformation, the three lattice vectors:
 | 
 |       2.863039245428      0.000000000000      0.000000000000
 |      -1.431519622722      2.479464718659      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 | 
 | -----------------------------------------
 | Tensile and shearing strain:  0.0085  0.0000
 | -----------------------------------------
 | Strain matrix is as follows:
 |           1.0085  0.0000  0.0000
 |           0.0000  1.0085  0.0000
 |           0.0000  0.0000  1.0000
 | -----------------------------------------
 | 
 | After affine biaxial tensile deformation, the three lattice vectors:
 | 
 |       2.887509666329      0.000000000000      0.000000000000
 |      -1.443754833173      2.500656724801      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 
  AFFINE DEFORMATION      018/042
  ----------------------------------------------------------------------------- 
 | FREE ENERGY TOTEN      :     -17.24666215
 | ENERGY WITHOUT ENTROPY :     -17.24666215
 | ENERGY(SIMGA->0)       :     -17.24666215
 | Pxx (kB)               :        -168.3073
 | Pyy (kB)               :        -168.3073
 | Pzz (kB)               :          -0.0988
 | Pxy (kB)               :           0.0000
 | Pyz (kB)               :           0.0000
 | Pzx (kB)               :           0.0000
 | PSTRESS (kB)           :             0.00
 | E-FERMI (eV)           :          -4.4790
 | VOLUME (Ang^3)         :         144.4100
 
  AFFINE PURE DEFORMATION      019/042
  ----------------------------------------------------------------------------- 
 | Before affine biaxial tensile deformation, the three lattice vectors:
 | 
 |       2.887509666329      0.000000000000      0.000000000000
 |      -1.443754833173      2.500656724801      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 | 
 | -----------------------------------------
 | Tensile and shearing strain:  0.0085  0.0000
 | -----------------------------------------
 | Strain matrix is as follows:
 |           1.0085  0.0000  0.0000
 |           0.0000  1.0085  0.0000
 |           0.0000  0.0000  1.0000
 | -----------------------------------------
 | 
 | After affine biaxial tensile deformation, the three lattice vectors:
 | 
 |       2.911980087230      0.000000000000      0.000000000000
 |      -1.455990043624      2.521848730943      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 
  AFFINE DEFORMATION      019/042
  ----------------------------------------------------------------------------- 
 | FREE ENERGY TOTEN      :     -16.98755783
 | ENERGY WITHOUT ENTROPY :     -16.98755783
 | ENERGY(SIMGA->0)       :     -16.98755783
 | Pxx (kB)               :        -169.6077
 | Pyy (kB)               :        -169.6077
 | Pzz (kB)               :          -0.0966
 | Pxy (kB)               :           0.0000
 | Pyz (kB)               :           0.0000
 | Pzx (kB)               :           0.0000
 | PSTRESS (kB)           :             0.00
 | E-FERMI (eV)           :          -4.5423
 | VOLUME (Ang^3)         :         146.8700
 
  AFFINE PURE DEFORMATION      020/042
  ----------------------------------------------------------------------------- 
 | Before affine biaxial tensile deformation, the three lattice vectors:
 | 
 |       2.911980087230      0.000000000000      0.000000000000
 |      -1.455990043624      2.521848730943      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 | 
 | -----------------------------------------
 | Tensile and shearing strain:  0.0084  0.0000
 | -----------------------------------------
 | Strain matrix is as follows:
 |           1.0084  0.0000  0.0000
 |           0.0000  1.0084  0.0000
 |           0.0000  0.0000  1.0000
 | -----------------------------------------
 | 
 | After affine biaxial tensile deformation, the three lattice vectors:
 | 
 |       2.936450508131      0.000000000000      0.000000000000
 |      -1.468225254075      2.543040737085      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 
  AFFINE DEFORMATION      020/042
  ----------------------------------------------------------------------------- 
 | FREE ENERGY TOTEN      :     -16.72461858
 | ENERGY WITHOUT ENTROPY :     -16.72461858
 | ENERGY(SIMGA->0)       :     -16.72461858
 | Pxx (kB)               :        -170.4337
 | Pyy (kB)               :        -170.4337
 | Pzz (kB)               :          -0.0937
 | Pxy (kB)               :           0.0000
 | Pyz (kB)               :           0.0000
 | Pzx (kB)               :           0.0000
 | PSTRESS (kB)           :             0.00
 | E-FERMI (eV)           :          -4.6032
 | VOLUME (Ang^3)         :         149.3500
 
  AFFINE PURE DEFORMATION      021/042
  ----------------------------------------------------------------------------- 
 | Before affine biaxial tensile deformation, the three lattice vectors:
 | 
 |       2.936450508131      0.000000000000      0.000000000000
 |      -1.468225254075      2.543040737085      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 | 
 | -----------------------------------------
 | Tensile and shearing strain:  0.0083  0.0000
 | -----------------------------------------
 | Strain matrix is as follows:
 |           1.0083  0.0000  0.0000
 |           0.0000  1.0083  0.0000
 |           0.0000  0.0000  1.0000
 | -----------------------------------------
 | 
 | After affine biaxial tensile deformation, the three lattice vectors:
 | 
 |       2.960920929032      0.000000000000      0.000000000000
 |      -1.480460464526      2.564232743227      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 
  AFFINE DEFORMATION      021/042
  ----------------------------------------------------------------------------- 
 | FREE ENERGY TOTEN      :     -16.45852677
 | ENERGY WITHOUT ENTROPY :     -16.45852677
 | ENERGY(SIMGA->0)       :     -16.45852677
 | Pxx (kB)               :        -170.8228
 | Pyy (kB)               :        -170.8228
 | Pzz (kB)               :          -0.0910
 | Pxy (kB)               :           0.0000
 | Pyz (kB)               :           0.0000
 | Pzx (kB)               :           0.0000
 | PSTRESS (kB)           :             0.00
 | E-FERMI (eV)           :          -4.6248
 | VOLUME (Ang^3)         :         151.8500
 
  AFFINE PURE DEFORMATION      022/042
  ----------------------------------------------------------------------------- 
 | Before affine biaxial tensile deformation, the three lattice vectors:
 | 
 |       2.960920929032      0.000000000000      0.000000000000
 |      -1.480460464526      2.564232743227      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 | 
 | -----------------------------------------
 | Tensile and shearing strain:  0.0083  0.0000
 | -----------------------------------------
 | Strain matrix is as follows:
 |           1.0083  0.0000  0.0000
 |           0.0000  1.0083  0.0000
 |           0.0000  0.0000  1.0000
 | -----------------------------------------
 | 
 | After affine biaxial tensile deformation, the three lattice vectors:
 | 
 |       2.985391349933      0.000000000000      0.000000000000
 |      -1.492695674977      2.585424749369      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 
  AFFINE DEFORMATION      022/042
  ----------------------------------------------------------------------------- 
 | FREE ENERGY TOTEN      :     -16.18992905
 | ENERGY WITHOUT ENTROPY :     -16.18992905
 | ENERGY(SIMGA->0)       :     -16.18992905
 | Pxx (kB)               :        -170.8088
 | Pyy (kB)               :        -170.8088
 | Pzz (kB)               :          -0.0890
 | Pxy (kB)               :           0.0000
 | Pyz (kB)               :           0.0000
 | Pzx (kB)               :           0.0000
 | PSTRESS (kB)           :             0.00
 | E-FERMI (eV)           :          -4.7428
 | VOLUME (Ang^3)         :         154.3700
 
  AFFINE PURE DEFORMATION      023/042
  ----------------------------------------------------------------------------- 
 | Before affine biaxial tensile deformation, the three lattice vectors:
 | 
 |       2.985391349933      0.000000000000      0.000000000000
 |      -1.492695674977      2.585424749369      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 | 
 | -----------------------------------------
 | Tensile and shearing strain:  0.0082  0.0000
 | -----------------------------------------
 | Strain matrix is as follows:
 |           1.0082  0.0000  0.0000
 |           0.0000  1.0082  0.0000
 |           0.0000  0.0000  1.0000
 | -----------------------------------------
 | 
 | After affine biaxial tensile deformation, the three lattice vectors:
 | 
 |       3.009861770834      0.000000000000      0.000000000000
 |      -1.504930885428      2.606616755511      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 
  AFFINE DEFORMATION      023/042
  ----------------------------------------------------------------------------- 
 | FREE ENERGY TOTEN      :     -15.91943432
 | ENERGY WITHOUT ENTROPY :     -15.91943432
 | ENERGY(SIMGA->0)       :     -15.91943432
 | Pxx (kB)               :        -170.4236
 | Pyy (kB)               :        -170.4236
 | Pzz (kB)               :          -0.0872
 | Pxy (kB)               :           0.0000
 | Pyz (kB)               :           0.0000
 | Pzx (kB)               :           0.0000
 | PSTRESS (kB)           :             0.00
 | E-FERMI (eV)           :          -4.8030
 | VOLUME (Ang^3)         :         156.9100
 
  AFFINE PURE DEFORMATION      024/042
  ----------------------------------------------------------------------------- 
 | Before affine biaxial tensile deformation, the three lattice vectors:
 | 
 |       3.009861770834      0.000000000000      0.000000000000
 |      -1.504930885428      2.606616755511      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 | 
 | -----------------------------------------
 | Tensile and shearing strain:  0.0081  0.0000
 | -----------------------------------------
 | Strain matrix is as follows:
 |           1.0081  0.0000  0.0000
 |           0.0000  1.0081  0.0000
 |           0.0000  0.0000  1.0000
 | -----------------------------------------
 | 
 | After affine biaxial tensile deformation, the three lattice vectors:
 | 
 |       3.034332191735      0.000000000000      0.000000000000
 |      -1.517166095879      2.627808761653      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 
  AFFINE DEFORMATION      024/042
  ----------------------------------------------------------------------------- 
 | FREE ENERGY TOTEN      :     -15.64762348
 | ENERGY WITHOUT ENTROPY :     -15.64762348
 | ENERGY(SIMGA->0)       :     -15.64762348
 | Pxx (kB)               :        -169.6978
 | Pyy (kB)               :        -169.6978
 | Pzz (kB)               :          -0.0859
 | Pxy (kB)               :           0.0000
 | Pyz (kB)               :           0.0000
 | Pzx (kB)               :           0.0000
 | PSTRESS (kB)           :             0.00
 | E-FERMI (eV)           :          -4.7836
 | VOLUME (Ang^3)         :         159.4700
 
  AFFINE PURE DEFORMATION      025/042
  ----------------------------------------------------------------------------- 
 | Before affine biaxial tensile deformation, the three lattice vectors:
 | 
 |       3.034332191735      0.000000000000      0.000000000000
 |      -1.517166095879      2.627808761653      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 | 
 | -----------------------------------------
 | Tensile and shearing strain:  0.0081  0.0000
 | -----------------------------------------
 | Strain matrix is as follows:
 |           1.0081  0.0000  0.0000
 |           0.0000  1.0081  0.0000
 |           0.0000  0.0000  1.0000
 | -----------------------------------------
 | 
 | After affine biaxial tensile deformation, the three lattice vectors:
 | 
 |       3.058802612636      0.000000000000      0.000000000000
 |      -1.529401306330      2.649000767795      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 
  AFFINE DEFORMATION      025/042
  ----------------------------------------------------------------------------- 
 | FREE ENERGY TOTEN      :     -15.37503080
 | ENERGY WITHOUT ENTROPY :     -15.37503080
 | ENERGY(SIMGA->0)       :     -15.37503080
 | Pxx (kB)               :        -168.6585
 | Pyy (kB)               :        -168.6585
 | Pzz (kB)               :          -0.0850
 | Pxy (kB)               :           0.0000
 | Pyz (kB)               :           0.0000
 | Pzx (kB)               :           0.0000
 | PSTRESS (kB)           :             0.00
 | E-FERMI (eV)           :          -4.8732
 | VOLUME (Ang^3)         :         162.0600
 
  AFFINE PURE DEFORMATION      026/042
  ----------------------------------------------------------------------------- 
 | Before affine biaxial tensile deformation, the three lattice vectors:
 | 
 |       3.058802612636      0.000000000000      0.000000000000
 |      -1.529401306330      2.649000767795      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 | 
 | -----------------------------------------
 | Tensile and shearing strain:  0.0080  0.0000
 | -----------------------------------------
 | Strain matrix is as follows:
 |           1.0080  0.0000  0.0000
 |           0.0000  1.0080  0.0000
 |           0.0000  0.0000  1.0000
 | -----------------------------------------
 | 
 | After affine biaxial tensile deformation, the three lattice vectors:
 | 
 |       3.083273033537      0.000000000000      0.000000000000
 |      -1.541636516781      2.670192773937      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 
  AFFINE DEFORMATION      026/042
  ----------------------------------------------------------------------------- 
 | FREE ENERGY TOTEN      :     -15.10216498
 | ENERGY WITHOUT ENTROPY :     -15.10216498
 | ENERGY(SIMGA->0)       :     -15.10216498
 | Pxx (kB)               :        -167.3303
 | Pyy (kB)               :        -167.3303
 | Pzz (kB)               :          -0.0843
 | Pxy (kB)               :           0.0000
 | Pyz (kB)               :           0.0000
 | Pzx (kB)               :           0.0000
 | PSTRESS (kB)           :             0.00
 | E-FERMI (eV)           :          -4.9238
 | VOLUME (Ang^3)         :         164.6600
 
  AFFINE PURE DEFORMATION      027/042
  ----------------------------------------------------------------------------- 
 | Before affine biaxial tensile deformation, the three lattice vectors:
 | 
 |       3.083273033537      0.000000000000      0.000000000000
 |      -1.541636516781      2.670192773937      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 | 
 | -----------------------------------------
 | Tensile and shearing strain:  0.0079  0.0000
 | -----------------------------------------
 | Strain matrix is as follows:
 |           1.0079  0.0000  0.0000
 |           0.0000  1.0079  0.0000
 |           0.0000  0.0000  1.0000
 | -----------------------------------------
 | 
 | After affine biaxial tensile deformation, the three lattice vectors:
 | 
 |       3.107743454438      0.000000000000      0.000000000000
 |      -1.553871727232      2.691384780079      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 
  AFFINE DEFORMATION      027/042
  ----------------------------------------------------------------------------- 
 | FREE ENERGY TOTEN      :     -14.82951896
 | ENERGY WITHOUT ENTROPY :     -14.82951896
 | ENERGY(SIMGA->0)       :     -14.82951896
 | Pxx (kB)               :        -165.7379
 | Pyy (kB)               :        -165.7379
 | Pzz (kB)               :          -0.0838
 | Pxy (kB)               :           0.0000
 | Pyz (kB)               :           0.0000
 | Pzx (kB)               :           0.0000
 | PSTRESS (kB)           :             0.00
 | E-FERMI (eV)           :          -4.9044
 | VOLUME (Ang^3)         :         167.2800
 
  AFFINE PURE DEFORMATION      028/042
  ----------------------------------------------------------------------------- 
 | Before affine biaxial tensile deformation, the three lattice vectors:
 | 
 |       3.107743454438      0.000000000000      0.000000000000
 |      -1.553871727232      2.691384780079      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 | 
 | -----------------------------------------
 | Tensile and shearing strain:  0.0079  0.0000
 | -----------------------------------------
 | Strain matrix is as follows:
 |           1.0079  0.0000  0.0000
 |           0.0000  1.0079  0.0000
 |           0.0000  0.0000  1.0000
 | -----------------------------------------
 | 
 | After affine biaxial tensile deformation, the three lattice vectors:
 | 
 |       3.132213875339      0.000000000000      0.000000000000
 |      -1.566106937683      2.712576786221      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 
  AFFINE DEFORMATION      028/042
  ----------------------------------------------------------------------------- 
 | FREE ENERGY TOTEN      :     -14.55754160
 | ENERGY WITHOUT ENTROPY :     -14.55754160
 | ENERGY(SIMGA->0)       :     -14.55754160
 | Pxx (kB)               :        -163.9032
 | Pyy (kB)               :        -163.9032
 | Pzz (kB)               :          -0.0830
 | Pxy (kB)               :           0.0000
 | Pyz (kB)               :           0.0000
 | Pzx (kB)               :           0.0000
 | PSTRESS (kB)           :             0.00
 | E-FERMI (eV)           :          -4.9879
 | VOLUME (Ang^3)         :         169.9300
 
  AFFINE PURE DEFORMATION      029/042
  ----------------------------------------------------------------------------- 
 | Before affine biaxial tensile deformation, the three lattice vectors:
 | 
 |       3.132213875339      0.000000000000      0.000000000000
 |      -1.566106937683      2.712576786221      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 | 
 | -----------------------------------------
 | Tensile and shearing strain:  0.0078  0.0000
 | -----------------------------------------
 | Strain matrix is as follows:
 |           1.0078  0.0000  0.0000
 |           0.0000  1.0078  0.0000
 |           0.0000  0.0000  1.0000
 | -----------------------------------------
 | 
 | After affine biaxial tensile deformation, the three lattice vectors:
 | 
 |       3.156684296240      0.000000000000      0.000000000000
 |      -1.578342148134      2.733768792363      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 
  AFFINE DEFORMATION      029/042
  ----------------------------------------------------------------------------- 
 | FREE ENERGY TOTEN      :     -14.28666403
 | ENERGY WITHOUT ENTROPY :     -14.28666403
 | ENERGY(SIMGA->0)       :     -14.28666403
 | Pxx (kB)               :        -161.8454
 | Pyy (kB)               :        -161.8454
 | Pzz (kB)               :          -0.0824
 | Pxy (kB)               :           0.0000
 | Pyz (kB)               :           0.0000
 | Pzx (kB)               :           0.0000
 | PSTRESS (kB)           :             0.00
 | E-FERMI (eV)           :          -4.9619
 | VOLUME (Ang^3)         :         172.5900
 
  AFFINE PURE DEFORMATION      030/042
  ----------------------------------------------------------------------------- 
 | Before affine biaxial tensile deformation, the three lattice vectors:
 | 
 |       3.156684296240      0.000000000000      0.000000000000
 |      -1.578342148134      2.733768792363      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 | 
 | -----------------------------------------
 | Tensile and shearing strain:  0.0078  0.0000
 | -----------------------------------------
 | Strain matrix is as follows:
 |           1.0078  0.0000  0.0000
 |           0.0000  1.0078  0.0000
 |           0.0000  0.0000  1.0000
 | -----------------------------------------
 | 
 | After affine biaxial tensile deformation, the three lattice vectors:
 | 
 |       3.181154717141      0.000000000000      0.000000000000
 |      -1.590577358585      2.754960798505      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 
  AFFINE DEFORMATION      030/042
  ----------------------------------------------------------------------------- 
 | FREE ENERGY TOTEN      :     -14.01729883
 | ENERGY WITHOUT ENTROPY :     -14.01729883
 | ENERGY(SIMGA->0)       :     -14.01729883
 | Pxx (kB)               :        -159.5843
 | Pyy (kB)               :        -159.5843
 | Pzz (kB)               :          -0.0815
 | Pxy (kB)               :           0.0000
 | Pyz (kB)               :           0.0000
 | Pzx (kB)               :           0.0000
 | PSTRESS (kB)           :             0.00
 | E-FERMI (eV)           :          -5.0565
 | VOLUME (Ang^3)         :         175.2800
 
  AFFINE PURE DEFORMATION      031/042
  ----------------------------------------------------------------------------- 
 | Before affine biaxial tensile deformation, the three lattice vectors:
 | 
 |       3.181154717141      0.000000000000      0.000000000000
 |      -1.590577358585      2.754960798505      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 | 
 | -----------------------------------------
 | Tensile and shearing strain:  0.0077  0.0000
 | -----------------------------------------
 | Strain matrix is as follows:
 |           1.0077  0.0000  0.0000
 |           0.0000  1.0077  0.0000
 |           0.0000  0.0000  1.0000
 | -----------------------------------------
 | 
 | After affine biaxial tensile deformation, the three lattice vectors:
 | 
 |       3.205625138042      0.000000000000      0.000000000000
 |      -1.602812569036      2.776152804647      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 
  AFFINE DEFORMATION      031/042
  ----------------------------------------------------------------------------- 
 | FREE ENERGY TOTEN      :     -13.74983635
 | ENERGY WITHOUT ENTROPY :     -13.74982371
 | ENERGY(SIMGA->0)       :     -13.74983003
 | Pxx (kB)               :        -157.0747
 | Pyy (kB)               :        -157.0747
 | Pzz (kB)               :          -0.0794
 | Pxy (kB)               :           0.0000
 | Pyz (kB)               :           0.0000
 | Pzx (kB)               :           0.0000
 | PSTRESS (kB)           :             0.00
 | E-FERMI (eV)           :          -5.1215
 | VOLUME (Ang^3)         :         177.9900
 
  AFFINE PURE DEFORMATION      032/042
  ----------------------------------------------------------------------------- 
 | Before affine biaxial tensile deformation, the three lattice vectors:
 | 
 |       3.205625138042      0.000000000000      0.000000000000
 |      -1.602812569036      2.776152804647      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 | 
 | -----------------------------------------
 | Tensile and shearing strain:  0.0076  0.0000
 | -----------------------------------------
 | Strain matrix is as follows:
 |           1.0076  0.0000  0.0000
 |           0.0000  1.0076  0.0000
 |           0.0000  0.0000  1.0000
 | -----------------------------------------
 | 
 | After affine biaxial tensile deformation, the three lattice vectors:
 | 
 |       3.230095558943      0.000000000000      0.000000000000
 |      -1.615047779487      2.797344810789      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 
  AFFINE DEFORMATION      032/042
  ----------------------------------------------------------------------------- 
 | FREE ENERGY TOTEN      :     -13.48581829
 | ENERGY WITHOUT ENTROPY :     -13.48576529
 | ENERGY(SIMGA->0)       :     -13.48579179
 | Pxx (kB)               :        -153.7882
 | Pyy (kB)               :        -153.7882
 | Pzz (kB)               :          -0.0796
 | Pxy (kB)               :           0.0000
 | Pyz (kB)               :           0.0000
 | Pzx (kB)               :           0.0000
 | PSTRESS (kB)           :             0.00
 | E-FERMI (eV)           :          -5.1569
 | VOLUME (Ang^3)         :         180.7100
 
  AFFINE PURE DEFORMATION      033/042
  ----------------------------------------------------------------------------- 
 | Before affine biaxial tensile deformation, the three lattice vectors:
 | 
 |       3.230095558943      0.000000000000      0.000000000000
 |      -1.615047779487      2.797344810789      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 | 
 | -----------------------------------------
 | Tensile and shearing strain:  0.0076  0.0000
 | -----------------------------------------
 | Strain matrix is as follows:
 |           1.0076  0.0000  0.0000
 |           0.0000  1.0076  0.0000
 |           0.0000  0.0000  1.0000
 | -----------------------------------------
 | 
 | After affine biaxial tensile deformation, the three lattice vectors:
 | 
 |       3.254565979844      0.000000000000      0.000000000000
 |      -1.627282989938      2.818536816931      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 
  AFFINE DEFORMATION      033/042
  ----------------------------------------------------------------------------- 
 | FREE ENERGY TOTEN      :     -13.22859360
 | ENERGY WITHOUT ENTROPY :     -13.22854060
 | ENERGY(SIMGA->0)       :     -13.22856710
 | Pxx (kB)               :        -147.8595
 | Pyy (kB)               :        -147.8595
 | Pzz (kB)               :          -0.0779
 | Pxy (kB)               :           0.0000
 | Pyz (kB)               :           0.0000
 | Pzx (kB)               :           0.0000
 | PSTRESS (kB)           :             0.00
 | E-FERMI (eV)           :          -5.3268
 | VOLUME (Ang^3)         :         183.4600
 
  AFFINE PURE DEFORMATION      034/042
  ----------------------------------------------------------------------------- 
 | Before affine biaxial tensile deformation, the three lattice vectors:
 | 
 |       3.254565979844      0.000000000000      0.000000000000
 |      -1.627282989938      2.818536816931      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 | 
 | -----------------------------------------
 | Tensile and shearing strain:  0.0075  0.0000
 | -----------------------------------------
 | Strain matrix is as follows:
 |           1.0075  0.0000  0.0000
 |           0.0000  1.0075  0.0000
 |           0.0000  0.0000  1.0000
 | -----------------------------------------
 | 
 | After affine biaxial tensile deformation, the three lattice vectors:
 | 
 |       3.279036400745      0.000000000000      0.000000000000
 |      -1.639518200389      2.839728823073      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 
  AFFINE DEFORMATION      034/042
  ----------------------------------------------------------------------------- 
 | FREE ENERGY TOTEN      :     -12.97611833
 | ENERGY WITHOUT ENTROPY :     -12.97606533
 | ENERGY(SIMGA->0)       :     -12.97609183
 | Pxx (kB)               :        -144.5441
 | Pyy (kB)               :        -144.5441
 | Pzz (kB)               :          -0.0768
 | Pxy (kB)               :           0.0000
 | Pyz (kB)               :           0.0000
 | Pzx (kB)               :           0.0000
 | PSTRESS (kB)           :             0.00
 | E-FERMI (eV)           :          -5.4317
 | VOLUME (Ang^3)         :         186.2300
 
  AFFINE PURE DEFORMATION      035/042
  ----------------------------------------------------------------------------- 
 | Before affine biaxial tensile deformation, the three lattice vectors:
 | 
 |       3.279036400745      0.000000000000      0.000000000000
 |      -1.639518200389      2.839728823073      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 | 
 | -----------------------------------------
 | Tensile and shearing strain:  0.0075  0.0000
 | -----------------------------------------
 | Strain matrix is as follows:
 |           1.0075  0.0000  0.0000
 |           0.0000  1.0075  0.0000
 |           0.0000  0.0000  1.0000
 | -----------------------------------------
 | 
 | After affine biaxial tensile deformation, the three lattice vectors:
 | 
 |       3.303506821646      0.000000000000      0.000000000000
 |      -1.651753410840      2.860920829215      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 
  AFFINE DEFORMATION      035/042
  ----------------------------------------------------------------------------- 
 | FREE ENERGY TOTEN      :     -12.72693762
 | ENERGY WITHOUT ENTROPY :     -12.72688462
 | ENERGY(SIMGA->0)       :     -12.72691112
 | Pxx (kB)               :        -141.7632
 | Pyy (kB)               :        -141.7632
 | Pzz (kB)               :          -0.0767
 | Pxy (kB)               :           0.0000
 | Pyz (kB)               :           0.0000
 | Pzx (kB)               :           0.0000
 | PSTRESS (kB)           :             0.00
 | E-FERMI (eV)           :          -5.4527
 | VOLUME (Ang^3)         :         189.0200
 
  AFFINE PURE DEFORMATION      036/042
  ----------------------------------------------------------------------------- 
 | Before affine biaxial tensile deformation, the three lattice vectors:
 | 
 |       3.303506821646      0.000000000000      0.000000000000
 |      -1.651753410840      2.860920829215      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 | 
 | -----------------------------------------
 | Tensile and shearing strain:  0.0074  0.0000
 | -----------------------------------------
 | Strain matrix is as follows:
 |           1.0074  0.0000  0.0000
 |           0.0000  1.0074  0.0000
 |           0.0000  0.0000  1.0000
 | -----------------------------------------
 | 
 | After affine biaxial tensile deformation, the three lattice vectors:
 | 
 |       3.327977242547      0.000000000000      0.000000000000
 |      -1.663988621291      2.882112835357      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 
  AFFINE DEFORMATION      036/042
  ----------------------------------------------------------------------------- 
 | FREE ENERGY TOTEN      :     -12.48244474
 | ENERGY WITHOUT ENTROPY :     -12.48238388
 | ENERGY(SIMGA->0)       :     -12.48241431
 | Pxx (kB)               :        -136.3296
 | Pyy (kB)               :        -136.3296
 | Pzz (kB)               :          -0.0753
 | Pxy (kB)               :           0.0000
 | Pyz (kB)               :           0.0000
 | Pzx (kB)               :           0.0000
 | PSTRESS (kB)           :             0.00
 | E-FERMI (eV)           :          -5.5074
 | VOLUME (Ang^3)         :         191.8300
 
  AFFINE PURE DEFORMATION      037/042
  ----------------------------------------------------------------------------- 
 | Before affine biaxial tensile deformation, the three lattice vectors:
 | 
 |       3.327977242547      0.000000000000      0.000000000000
 |      -1.663988621291      2.882112835357      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 | 
 | -----------------------------------------
 | Tensile and shearing strain:  0.0074  0.0000
 | -----------------------------------------
 | Strain matrix is as follows:
 |           1.0074  0.0000  0.0000
 |           0.0000  1.0074  0.0000
 |           0.0000  0.0000  1.0000
 | -----------------------------------------
 | 
 | After affine biaxial tensile deformation, the three lattice vectors:
 | 
 |       3.352447663448      0.000000000000      0.000000000000
 |      -1.676223831742      2.903304841499      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 
  AFFINE DEFORMATION      037/042
  ----------------------------------------------------------------------------- 
 | FREE ENERGY TOTEN      :     -12.24483486
 | ENERGY WITHOUT ENTROPY :     -12.24463956
 | ENERGY(SIMGA->0)       :     -12.24473721
 | Pxx (kB)               :        -132.4104
 | Pyy (kB)               :        -132.4104
 | Pzz (kB)               :          -0.0761
 | Pxy (kB)               :           0.0000
 | Pyz (kB)               :           0.0000
 | Pzx (kB)               :           0.0000
 | PSTRESS (kB)           :             0.00
 | E-FERMI (eV)           :          -5.5256
 | VOLUME (Ang^3)         :         194.6600
 
  AFFINE PURE DEFORMATION      038/042
  ----------------------------------------------------------------------------- 
 | Before affine biaxial tensile deformation, the three lattice vectors:
 | 
 |       3.352447663448      0.000000000000      0.000000000000
 |      -1.676223831742      2.903304841499      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 | 
 | -----------------------------------------
 | Tensile and shearing strain:  0.0073  0.0000
 | -----------------------------------------
 | Strain matrix is as follows:
 |           1.0073  0.0000  0.0000
 |           0.0000  1.0073  0.0000
 |           0.0000  0.0000  1.0000
 | -----------------------------------------
 | 
 | After affine biaxial tensile deformation, the three lattice vectors:
 | 
 |       3.376918084349      0.000000000000      0.000000000000
 |      -1.688459042193      2.924496847641      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 
  AFFINE DEFORMATION      038/042
  ----------------------------------------------------------------------------- 
 | FREE ENERGY TOTEN      :     -12.01474996
 | ENERGY WITHOUT ENTROPY :     -12.01458441
 | ENERGY(SIMGA->0)       :     -12.01466718
 | Pxx (kB)               :        -127.8030
 | Pyy (kB)               :        -127.8030
 | Pzz (kB)               :          -0.0744
 | Pxy (kB)               :           0.0000
 | Pyz (kB)               :           0.0000
 | Pzx (kB)               :           0.0000
 | PSTRESS (kB)           :             0.00
 | E-FERMI (eV)           :          -5.5315
 | VOLUME (Ang^3)         :         197.5200
 
  AFFINE PURE DEFORMATION      039/042
  ----------------------------------------------------------------------------- 
 | Before affine biaxial tensile deformation, the three lattice vectors:
 | 
 |       3.376918084349      0.000000000000      0.000000000000
 |      -1.688459042193      2.924496847641      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 | 
 | -----------------------------------------
 | Tensile and shearing strain:  0.0072  0.0000
 | -----------------------------------------
 | Strain matrix is as follows:
 |           1.0072  0.0000  0.0000
 |           0.0000  1.0072  0.0000
 |           0.0000  0.0000  1.0000
 | -----------------------------------------
 | 
 | After affine biaxial tensile deformation, the three lattice vectors:
 | 
 |       3.401388505250      0.000000000000      0.000000000000
 |      -1.700694252644      2.945688853783      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 
  AFFINE DEFORMATION      039/042
  ----------------------------------------------------------------------------- 
 | FREE ENERGY TOTEN      :     -11.78808689
 | ENERGY WITHOUT ENTROPY :     -11.78792134
 | ENERGY(SIMGA->0)       :     -11.78800412
 | Pxx (kB)               :        -125.1300
 | Pyy (kB)               :        -125.1300
 | Pzz (kB)               :          -0.0741
 | Pxy (kB)               :           0.0000
 | Pyz (kB)               :           0.0000
 | Pzx (kB)               :           0.0000
 | PSTRESS (kB)           :             0.00
 | E-FERMI (eV)           :          -5.5478
 | VOLUME (Ang^3)         :         200.3900
 
  AFFINE PURE DEFORMATION      040/042
  ----------------------------------------------------------------------------- 
 | Before affine biaxial tensile deformation, the three lattice vectors:
 | 
 |       3.401388505250      0.000000000000      0.000000000000
 |      -1.700694252644      2.945688853783      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 | 
 | -----------------------------------------
 | Tensile and shearing strain:  0.0072  0.0000
 | -----------------------------------------
 | Strain matrix is as follows:
 |           1.0072  0.0000  0.0000
 |           0.0000  1.0072  0.0000
 |           0.0000  0.0000  1.0000
 | -----------------------------------------
 | 
 | After affine biaxial tensile deformation, the three lattice vectors:
 | 
 |       3.425858926151      0.000000000000      0.000000000000
 |      -1.712929463095      2.966880859925      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 
  AFFINE DEFORMATION      040/042
  ----------------------------------------------------------------------------- 
 | FREE ENERGY TOTEN      :     -11.56490219
 | ENERGY WITHOUT ENTROPY :     -11.56467449
 | ENERGY(SIMGA->0)       :     -11.56478834
 | Pxx (kB)               :        -121.0721
 | Pyy (kB)               :        -121.0721
 | Pzz (kB)               :          -0.0744
 | Pxy (kB)               :           0.0000
 | Pyz (kB)               :           0.0000
 | Pzx (kB)               :           0.0000
 | PSTRESS (kB)           :             0.00
 | E-FERMI (eV)           :          -5.5557
 | VOLUME (Ang^3)         :         203.2800
 
  AFFINE PURE DEFORMATION      041/042
  ----------------------------------------------------------------------------- 
 | Before affine biaxial tensile deformation, the three lattice vectors:
 | 
 |       3.425858926151      0.000000000000      0.000000000000
 |      -1.712929463095      2.966880859925      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 | 
 | -----------------------------------------
 | Tensile and shearing strain:  0.0071  0.0000
 | -----------------------------------------
 | Strain matrix is as follows:
 |           1.0071  0.0000  0.0000
 |           0.0000  1.0071  0.0000
 |           0.0000  0.0000  1.0000
 | -----------------------------------------
 | 
 | After affine biaxial tensile deformation, the three lattice vectors:
 | 
 |       3.450329347052      0.000000000000      0.000000000000
 |      -1.725164673546      2.988072866067      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 
  AFFINE DEFORMATION      041/042
  ----------------------------------------------------------------------------- 
 | FREE ENERGY TOTEN      :     -11.34796092
 | ENERGY WITHOUT ENTROPY :     -11.34778083
 | ENERGY(SIMGA->0)       :     -11.34787087
 | Pxx (kB)               :        -117.9416
 | Pyy (kB)               :        -117.9416
 | Pzz (kB)               :          -0.0706
 | Pxy (kB)               :           0.0000
 | Pyz (kB)               :           0.0000
 | Pzx (kB)               :           0.0000
 | PSTRESS (kB)           :             0.00
 | E-FERMI (eV)           :          -5.6847
 | VOLUME (Ang^3)         :         206.2000
 
  AFFINE PURE DEFORMATION      042/042
  ----------------------------------------------------------------------------- 
 | Before affine biaxial tensile deformation, the three lattice vectors:
 | 
 |       3.450329347052      0.000000000000      0.000000000000
 |      -1.725164673546      2.988072866067      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 | 
 | -----------------------------------------
 | Tensile and shearing strain:  0.0071  0.0000
 | -----------------------------------------
 | Strain matrix is as follows:
 |           1.0071  0.0000  0.0000
 |           0.0000  1.0071  0.0000
 |           0.0000  0.0000  1.0000
 | -----------------------------------------
 | 
 | After affine biaxial tensile deformation, the three lattice vectors:
 | 
 |       3.474799767953      0.000000000000      0.000000000000
 |      -1.737399883997      3.009264872209      0.000000000000
 |       0.000000000000      0.000000000000     20.000000000000
 
  AFFINE DEFORMATION      042/042
  ----------------------------------------------------------------------------- 
 | FREE ENERGY TOTEN      :     -11.13715125
 | ENERGY WITHOUT ENTROPY :     -11.13708365
 | ENERGY(SIMGA->0)       :     -11.13711745
 | Pxx (kB)               :        -113.4682
 | Pyy (kB)               :        -113.4682
 | Pzz (kB)               :          -0.0718
 | Pxy (kB)               :           0.0000
 | Pyz (kB)               :           0.0000
 | Pzx (kB)               :           0.0000
 | PSTRESS (kB)           :             0.00
 | E-FERMI (eV)           :          -5.7657
 | VOLUME (Ang^3)         :         209.1300
