 
  CRYSTAL PROJECTION (INDXPROJ)
  ----------------------------------------------------------------------------- 
 | Before Projction, the three lattice vectors:
 | 
 |       3.533617560550      0.000000000000      0.000000000000
 |       0.000000000000      3.533617560550      0.000000000000
 |       0.000000000000      0.000000000000      3.533617560550
 | 
 | -----------------------------------------
 | projection vector along X axis is x[  1 -1  0]
 | upward vector along Y axis is     y[  1  1  1]
 | -----------------------------------------
 | Orientation matrix is as follows:
 |             0.707107   -0.707107    0.000000
 |             0.577350    0.577350    0.577350
 |            -0.408248   -0.408248    0.816497
 | -----------------------------------------
 | 
 | After Projction, the three lattice vectors:
 | 
 |       2.498644939185      2.040135049797     -1.442593328248
 |      -2.498644939185      2.040135049797     -1.442593328248
 |       0.000000000000      2.040135049797      2.885186656495
 
  KPPRA METHOD
  ----------------------------------------------------------------------------- 
 | After reading, the three lattice vectors:
 | 
 |    2.498644939185000   2.040135049797000  -1.442593328248000
 |   -2.498644939185000   2.040135049797000  -1.442593328248000
 |    0.000000000000000   2.040135049797000   2.885186656495000
 |    C 
 |    8
 | -----------------------------------------
 | K-Point Per Reciprocal Atom is  8000
 | -----------------------------------------
 | 
 | Automatic mesh
 |   0
 | Gamma-centered
 |  10 10 10
 |   0  0  0
 
  AFFINE PURE DEFORMATION      000/014
  ----------------------------------------------------------------------------- 
 | Before affine pure deformation, the three lattice vectors:
 | 
 |       2.498644939185      2.040135049797     -1.442593328248
 |      -2.498644939185      2.040135049797     -1.442593328248
 |       0.000000000000      2.040135049797      2.885186656495
 | 
 | -----------------------------------------
 | 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 pure deformation, the three lattice vectors:
 | 
 |       2.498644939185      2.040135049797     -1.442593328248
 |      -2.498644939185      2.040135049797     -1.442593328248
 |       0.000000000000      2.040135049797      2.885186656495
 
  AFFINE DEFORMATION      000/014
  ----------------------------------------------------------------------------- 
 | FREE ENERGY TOTEN      :     -80.98545705
 | ENERGY WITHOUT ENTROPY :     -80.98545705
 | ENERGY(SIMGA->0)       :     -80.98545705
 | Pxx (kB)               :          -0.0229
 | Pyy (kB)               :          -0.0228
 | Pzz (kB)               :          -0.0229
 | Pxy (kB)               :           0.0000
 | Pyz (kB)               :           0.0000
 | Pzx (kB)               :           0.0000
 | PSTRESS (kB)           :             0.00
 | E-FERMI (eV)           :          10.2401
 | VOLUME (Ang^3)         :          44.2000
 
  AFFINE PURE DEFORMATION      001/014
  ----------------------------------------------------------------------------- 
 | Before affine pure deformation, the three lattice vectors:
 | 
 |       2.500935284677      2.040135049797     -1.443915659835
 |      -2.500935284677      2.040135049797     -1.443915659835
 |       0.000000000000      2.040135049797      2.887831319668
 | 
 | -----------------------------------------
 | Tensile and shearing strain:  0.0200  0.0000
 | -----------------------------------------
 | Strain matrix is as follows:
 |           1.0000  0.0000  0.0000
 |           0.0000  1.0200  0.0000
 |           0.0000  0.0000  1.0000
 | -----------------------------------------
 | 
 | After affine pure deformation, the three lattice vectors:
 | 
 |       2.500935284677      2.080937750793     -1.443915659835
 |      -2.500935284677      2.080937750793     -1.443915659835
 |       0.000000000000      2.080937750793      2.887831319668
 
  AFFINE DEFORMATION      001/014
  ----------------------------------------------------------------------------- 
 | FREE ENERGY TOTEN      :     -80.92190964
 | ENERGY WITHOUT ENTROPY :     -80.92190964
 | ENERGY(SIMGA->0)       :     -80.92190964
 | Pxx (kB)               :          -0.0695
 | Pyy (kB)               :        -227.5719
 | Pzz (kB)               :          -0.0695
 | Pxy (kB)               :           0.0000
 | Pyz (kB)               :           0.0000
 | Pzx (kB)               :           0.0000
 | PSTRESS (kB)           :             0.00
 | E-FERMI (eV)           :           9.9958
 | VOLUME (Ang^3)         :          44.9700
 
  AFFINE PURE DEFORMATION      002/014
  ----------------------------------------------------------------------------- 
 | Before affine pure deformation, the three lattice vectors:
 | 
 |       2.497713959185      2.080937750793     -1.442055826695
 |      -2.497713959185      2.080937750793     -1.442055826695
 |       0.000000000000      2.080937750793      2.884111653388
 | 
 | -----------------------------------------
 | Tensile and shearing strain:  0.0196  0.0000
 | -----------------------------------------
 | Strain matrix is as follows:
 |           1.0000  0.0000  0.0000
 |           0.0000  1.0196  0.0000
 |           0.0000  0.0000  1.0000
 | -----------------------------------------
 | 
 | After affine pure deformation, the three lattice vectors:
 | 
 |       2.497713959185      2.121740451789     -1.442055826695
 |      -2.497713959185      2.121740451789     -1.442055826695
 |       0.000000000000      2.121740451789      2.884111653388
 
  AFFINE DEFORMATION      002/014
  ----------------------------------------------------------------------------- 
 | FREE ENERGY TOTEN      :     -80.74062291
 | ENERGY WITHOUT ENTROPY :     -80.74062291
 | ENERGY(SIMGA->0)       :     -80.74062291
 | Pxx (kB)               :           0.0245
 | Pyy (kB)               :        -432.4319
 | Pzz (kB)               :           0.0245
 | Pxy (kB)               :           0.0000
 | Pyz (kB)               :           0.0000
 | Pzx (kB)               :           0.0000
 | PSTRESS (kB)           :             0.00
 | E-FERMI (eV)           :           9.7382
 | VOLUME (Ang^3)         :          45.7700
 
  AFFINE PURE DEFORMATION      003/014
  ----------------------------------------------------------------------------- 
 | Before affine pure deformation, the three lattice vectors:
 | 
 |       2.495508957375      2.121740451789     -1.440782768307
 |      -2.495508957375      2.121740451789     -1.440782768307
 |       0.000000000000      2.121740451789      2.881565536611
 | 
 | -----------------------------------------
 | Tensile and shearing strain:  0.0192  0.0000
 | -----------------------------------------
 | Strain matrix is as follows:
 |           1.0000  0.0000  0.0000
 |           0.0000  1.0192  0.0000
 |           0.0000  0.0000  1.0000
 | -----------------------------------------
 | 
 | After affine pure deformation, the three lattice vectors:
 | 
 |       2.495508957375      2.162543152785     -1.440782768307
 |      -2.495508957375      2.162543152785     -1.440782768307
 |       0.000000000000      2.162543152785      2.881565536611
 
  AFFINE DEFORMATION      003/014
  ----------------------------------------------------------------------------- 
 | FREE ENERGY TOTEN      :     -80.45572831
 | ENERGY WITHOUT ENTROPY :     -80.45572831
 | ENERGY(SIMGA->0)       :     -80.45572831
 | Pxx (kB)               :           0.0114
 | Pyy (kB)               :        -605.6989
 | Pzz (kB)               :           0.0114
 | Pxy (kB)               :           0.0000
 | Pyz (kB)               :           0.0000
 | Pzx (kB)               :           0.0000
 | PSTRESS (kB)           :             0.00
 | E-FERMI (eV)           :           9.4130
 | VOLUME (Ang^3)         :          46.5800
 
  AFFINE PURE DEFORMATION      004/014
  ----------------------------------------------------------------------------- 
 | Before affine pure deformation, the three lattice vectors:
 | 
 |       2.493588780401      2.162543152785     -1.439674153614
 |      -2.493588780401      2.162543152785     -1.439674153614
 |       0.000000000000      2.162543152785      2.879348307226
 | 
 | -----------------------------------------
 | Tensile and shearing strain:  0.0189  0.0000
 | -----------------------------------------
 | Strain matrix is as follows:
 |           1.0000  0.0000  0.0000
 |           0.0000  1.0189  0.0000
 |           0.0000  0.0000  1.0000
 | -----------------------------------------
 | 
 | After affine pure deformation, the three lattice vectors:
 | 
 |       2.493588780401      2.203345853781     -1.439674153614
 |      -2.493588780401      2.203345853781     -1.439674153614
 |       0.000000000000      2.203345853781      2.879348307226
 
  AFFINE DEFORMATION      004/014
  ----------------------------------------------------------------------------- 
 | FREE ENERGY TOTEN      :     -80.08507438
 | ENERGY WITHOUT ENTROPY :     -80.08507438
 | ENERGY(SIMGA->0)       :     -80.08507438
 | Pxx (kB)               :          -0.0187
 | Pyy (kB)               :        -745.6268
 | Pzz (kB)               :          -0.0187
 | Pxy (kB)               :           0.0000
 | Pyz (kB)               :           0.0000
 | Pzx (kB)               :           0.0000
 | PSTRESS (kB)           :             0.00
 | E-FERMI (eV)           :           9.1723
 | VOLUME (Ang^3)         :          47.3900
 
  AFFINE PURE DEFORMATION      005/014
  ----------------------------------------------------------------------------- 
 | Before affine pure deformation, the three lattice vectors:
 | 
 |       2.491856306318      2.203345853781     -1.438673909236
 |      -2.491856306318      2.203345853781     -1.438673909236
 |       0.000000000000      2.203345853781      2.877347818469
 | 
 | -----------------------------------------
 | Tensile and shearing strain:  0.0185  0.0000
 | -----------------------------------------
 | Strain matrix is as follows:
 |           1.0000  0.0000  0.0000
 |           0.0000  1.0185  0.0000
 |           0.0000  0.0000  1.0000
 | -----------------------------------------
 | 
 | After affine pure deformation, the three lattice vectors:
 | 
 |       2.491856306318      2.244148554777     -1.438673909236
 |      -2.491856306318      2.244148554777     -1.438673909236
 |       0.000000000000      2.244148554777      2.877347818469
 
  AFFINE DEFORMATION      005/014
  ----------------------------------------------------------------------------- 
 | FREE ENERGY TOTEN      :     -79.64805737
 | ENERGY WITHOUT ENTROPY :     -79.64805737
 | ENERGY(SIMGA->0)       :     -79.64805737
 | Pxx (kB)               :           0.0006
 | Pyy (kB)               :        -849.6723
 | Pzz (kB)               :           0.0006
 | Pxy (kB)               :           0.0000
 | Pyz (kB)               :           0.0000
 | Pzx (kB)               :           0.0000
 | PSTRESS (kB)           :             0.00
 | E-FERMI (eV)           :           9.0233
 | VOLUME (Ang^3)         :          48.2100
 
  AFFINE PURE DEFORMATION      006/014
  ----------------------------------------------------------------------------- 
 | Before affine pure deformation, the three lattice vectors:
 | 
 |       2.490169019780      2.244148554777     -1.437699753899
 |      -2.490169019780      2.244148554777     -1.437699753899
 |       0.000000000000      2.244148554777      2.875399507795
 | 
 | -----------------------------------------
 | Tensile and shearing strain:  0.0182  0.0000
 | -----------------------------------------
 | Strain matrix is as follows:
 |           1.0000  0.0000  0.0000
 |           0.0000  1.0182  0.0000
 |           0.0000  0.0000  1.0000
 | -----------------------------------------
 | 
 | After affine pure deformation, the three lattice vectors:
 | 
 |       2.490169019780      2.284951255773     -1.437699753899
 |      -2.490169019780      2.284951255773     -1.437699753899
 |       0.000000000000      2.284951255773      2.875399507795
 
  AFFINE DEFORMATION      006/014
  ----------------------------------------------------------------------------- 
 | FREE ENERGY TOTEN      :     -79.16531752
 | ENERGY WITHOUT ENTROPY :     -79.16531752
 | ENERGY(SIMGA->0)       :     -79.16531752
 | Pxx (kB)               :           0.0129
 | Pyy (kB)               :        -913.1125
 | Pzz (kB)               :           0.0129
 | Pxy (kB)               :           0.0000
 | Pyz (kB)               :           0.0000
 | Pzx (kB)               :           0.0000
 | PSTRESS (kB)           :             0.00
 | E-FERMI (eV)           :           8.9711
 | VOLUME (Ang^3)         :          49.0100
 
  AFFINE PURE DEFORMATION      007/014
  ----------------------------------------------------------------------------- 
 | Before affine pure deformation, the three lattice vectors:
 | 
 |       2.488415531637      2.284951255773     -1.436687377047
 |      -2.488415531637      2.284951255773     -1.436687377047
 |       0.000000000000      2.284951255773      2.873374754092
 | 
 | -----------------------------------------
 | Tensile and shearing strain:  0.0179  0.0000
 | -----------------------------------------
 | Strain matrix is as follows:
 |           1.0000  0.0000  0.0000
 |           0.0000  1.0179  0.0000
 |           0.0000  0.0000  1.0000
 | -----------------------------------------
 | 
 | After affine pure deformation, the three lattice vectors:
 | 
 |       2.488415531637      2.325753956769     -1.436687377047
 |      -2.488415531637      2.325753956769     -1.436687377047
 |       0.000000000000      2.325753956769      2.873374754092
 
  AFFINE DEFORMATION      007/014
  ----------------------------------------------------------------------------- 
 | FREE ENERGY TOTEN      :     -78.66198730
 | ENERGY WITHOUT ENTROPY :     -78.66198730
 | ENERGY(SIMGA->0)       :     -78.66198730
 | Pxx (kB)               :          -0.0136
 | Pyy (kB)               :        -924.1915
 | Pzz (kB)               :          -0.0136
 | Pxy (kB)               :           0.0000
 | Pyz (kB)               :           0.0000
 | Pzx (kB)               :           0.0000
 | PSTRESS (kB)           :             0.00
 | E-FERMI (eV)           :           9.0527
 | VOLUME (Ang^3)         :          49.8000
 
  AFFINE PURE DEFORMATION      008/014
  ----------------------------------------------------------------------------- 
 | Before affine pure deformation, the three lattice vectors:
 | 
 |       2.486317216595      2.325753956769     -1.435475914292
 |      -2.486317216595      2.325753956769     -1.435475914292
 |       0.000000000000      2.325753956769      2.870951828583
 | 
 | -----------------------------------------
 | Tensile and shearing strain:  0.0175  0.0000
 | -----------------------------------------
 | Strain matrix is as follows:
 |           1.0000  0.0000  0.0000
 |           0.0000  1.0175  0.0000
 |           0.0000  0.0000  1.0000
 | -----------------------------------------
 | 
 | After affine pure deformation, the three lattice vectors:
 | 
 |       2.486317216595      2.366556657765     -1.435475914292
 |      -2.486317216595      2.366556657765     -1.435475914292
 |       0.000000000000      2.366556657765      2.870951828583
 
  AFFINE DEFORMATION      008/014
  ----------------------------------------------------------------------------- 
 | FREE ENERGY TOTEN      :     -78.19457385
 | ENERGY WITHOUT ENTROPY :     -78.19457385
 | ENERGY(SIMGA->0)       :     -78.19457385
 | Pxx (kB)               :          -0.0523
 | Pyy (kB)               :        -632.4340
 | Pzz (kB)               :          -0.0523
 | Pxy (kB)               :           0.0000
 | Pyz (kB)               :           0.0000
 | Pzx (kB)               :           0.0000
 | PSTRESS (kB)           :             0.00
 | E-FERMI (eV)           :           9.1906
 | VOLUME (Ang^3)         :          50.3700
 
  AFFINE PURE DEFORMATION      009/014
  ----------------------------------------------------------------------------- 
 | Before affine pure deformation, the three lattice vectors:
 | 
 |       2.478720485665      2.366556657765     -1.431089939644
 |      -2.478720485665      2.366556657765     -1.431089939644
 |       0.000000000000      2.366556657765      2.862179879288
 | 
 | -----------------------------------------
 | Tensile and shearing strain:  0.0172  0.0000
 | -----------------------------------------
 | Strain matrix is as follows:
 |           1.0000  0.0000  0.0000
 |           0.0000  1.0172  0.0000
 |           0.0000  0.0000  1.0000
 | -----------------------------------------
 | 
 | After affine pure deformation, the three lattice vectors:
 | 
 |       2.478720485665      2.407359358761     -1.431089939644
 |      -2.478720485665      2.407359358761     -1.431089939644
 |       0.000000000000      2.407359358761      2.862179879288
 
  AFFINE DEFORMATION      009/014
  ----------------------------------------------------------------------------- 
 | FREE ENERGY TOTEN      :     -78.82505234
 | ENERGY WITHOUT ENTROPY :     -78.82503007
 | ENERGY(SIMGA->0)       :     -78.82504121
 | Pxx (kB)               :          -0.0267
 | Pyy (kB)               :         564.4005
 | Pzz (kB)               :          -0.0267
 | Pxy (kB)               :           0.0000
 | Pyz (kB)               :           0.0000
 | Pzx (kB)               :           0.0000
 | PSTRESS (kB)           :             0.00
 | E-FERMI (eV)           :           8.9277
 | VOLUME (Ang^3)         :          49.9600
 
  AFFINE PURE DEFORMATION      010/014
  ----------------------------------------------------------------------------- 
 | Before affine pure deformation, the three lattice vectors:
 | 
 |       2.447568306327      2.407359358761     -1.413104220518
 |      -2.447568306327      2.407359358761     -1.413104220518
 |       0.000000000000      2.407359358761      2.826208441035
 | 
 | -----------------------------------------
 | Tensile and shearing strain:  0.0169  0.0000
 | -----------------------------------------
 | Strain matrix is as follows:
 |           1.0000  0.0000  0.0000
 |           0.0000  1.0169  0.0000
 |           0.0000  0.0000  1.0000
 | -----------------------------------------
 | 
 | After affine pure deformation, the three lattice vectors:
 | 
 |       2.447568306327      2.448162059757     -1.413104220518
 |      -2.447568306327      2.448162059757     -1.413104220518
 |       0.000000000000      2.448162059757      2.826208441035
 
  AFFINE DEFORMATION      010/014
  ----------------------------------------------------------------------------- 
 | FREE ENERGY TOTEN      :     -79.11019447
 | ENERGY WITHOUT ENTROPY :     -79.11019447
 | ENERGY(SIMGA->0)       :     -79.11019447
 | Pxx (kB)               :          -0.0195
 | Pyy (kB)               :         512.9149
 | Pzz (kB)               :          -0.0195
 | Pxy (kB)               :           0.0000
 | Pyz (kB)               :           0.0000
 | Pzx (kB)               :           0.0000
 | PSTRESS (kB)           :             0.00
 | E-FERMI (eV)           :           8.5833
 | VOLUME (Ang^3)         :          50.7700
 
  AFFINE PURE DEFORMATION      011/014
  ----------------------------------------------------------------------------- 
 | Before affine pure deformation, the three lattice vectors:
 | 
 |       2.446625781916      2.448162059757     -1.412560053795
 |      -2.446625781916      2.448162059757     -1.412560053795
 |       0.000000000000      2.448162059757      2.825120107590
 | 
 | -----------------------------------------
 | Tensile and shearing strain:  0.0167  0.0000
 | -----------------------------------------
 | Strain matrix is as follows:
 |           1.0000  0.0000  0.0000
 |           0.0000  1.0167  0.0000
 |           0.0000  0.0000  1.0000
 | -----------------------------------------
 | 
 | After affine pure deformation, the three lattice vectors:
 | 
 |       2.446625781916      2.488964760753     -1.412560053795
 |      -2.446625781916      2.488964760753     -1.412560053795
 |       0.000000000000      2.488964760753      2.825120107590
 
  AFFINE DEFORMATION      011/014
  ----------------------------------------------------------------------------- 
 | FREE ENERGY TOTEN      :     -79.36662839
 | ENERGY WITHOUT ENTROPY :     -79.36662839
 | ENERGY(SIMGA->0)       :     -79.36662839
 | Pxx (kB)               :          -0.0109
 | Pyy (kB)               :         456.1572
 | Pzz (kB)               :          -0.0109
 | Pxy (kB)               :           0.0000
 | Pyz (kB)               :           0.0000
 | Pzx (kB)               :           0.0000
 | PSTRESS (kB)           :             0.00
 | E-FERMI (eV)           :           8.3611
 | VOLUME (Ang^3)         :          51.5900
 
  AFFINE PURE DEFORMATION      012/014
  ----------------------------------------------------------------------------- 
 | Before affine pure deformation, the three lattice vectors:
 | 
 |       2.446132812172      2.488964760753     -1.412275437581
 |      -2.446132812172      2.488964760753     -1.412275437581
 |       0.000000000000      2.488964760753      2.824550875161
 | 
 | -----------------------------------------
 | Tensile and shearing strain:  0.0164  0.0000
 | -----------------------------------------
 | Strain matrix is as follows:
 |           1.0000  0.0000  0.0000
 |           0.0000  1.0164  0.0000
 |           0.0000  0.0000  1.0000
 | -----------------------------------------
 | 
 | After affine pure deformation, the three lattice vectors:
 | 
 |       2.446132812172      2.529767461749     -1.412275437581
 |      -2.446132812172      2.529767461749     -1.412275437581
 |       0.000000000000      2.529767461749      2.824550875161
 
  AFFINE DEFORMATION      012/014
  ----------------------------------------------------------------------------- 
 | FREE ENERGY TOTEN      :     -79.59416268
 | ENERGY WITHOUT ENTROPY :     -79.59416268
 | ENERGY(SIMGA->0)       :     -79.59416268
 | Pxx (kB)               :          -0.0021
 | Pyy (kB)               :         402.8575
 | Pzz (kB)               :          -0.0021
 | Pxy (kB)               :           0.0000
 | Pyz (kB)               :           0.0000
 | Pzx (kB)               :           0.0000
 | PSTRESS (kB)           :             0.00
 | E-FERMI (eV)           :           8.0278
 | VOLUME (Ang^3)         :          52.4200
 
  AFFINE PURE DEFORMATION      013/014
  ----------------------------------------------------------------------------- 
 | Before affine pure deformation, the three lattice vectors:
 | 
 |       2.445822867289      2.529767461749     -1.412096490819
 |      -2.445822867289      2.529767461749     -1.412096490819
 |       0.000000000000      2.529767461749      2.824192981637
 | 
 | -----------------------------------------
 | Tensile and shearing strain:  0.0161  0.0000
 | -----------------------------------------
 | Strain matrix is as follows:
 |           1.0000  0.0000  0.0000
 |           0.0000  1.0161  0.0000
 |           0.0000  0.0000  1.0000
 | -----------------------------------------
 | 
 | After affine pure deformation, the three lattice vectors:
 | 
 |       2.445822867289      2.570570162745     -1.412096490819
 |      -2.445822867289      2.570570162745     -1.412096490819
 |       0.000000000000      2.570570162745      2.824192981637
 
  AFFINE DEFORMATION      013/014
  ----------------------------------------------------------------------------- 
 | FREE ENERGY TOTEN      :     -79.79440018
 | ENERGY WITHOUT ENTROPY :     -79.79440018
 | ENERGY(SIMGA->0)       :     -79.79440018
 | Pxx (kB)               :           0.0261
 | Pyy (kB)               :         353.5396
 | Pzz (kB)               :           0.0261
 | Pxy (kB)               :           0.0000
 | Pyz (kB)               :           0.0000
 | Pzx (kB)               :           0.0000
 | PSTRESS (kB)           :             0.00
 | E-FERMI (eV)           :           7.8244
 | VOLUME (Ang^3)         :          53.2600
 
  AFFINE PURE DEFORMATION      014/014
  ----------------------------------------------------------------------------- 
 | Before affine pure deformation, the three lattice vectors:
 | 
 |       2.445652376239      2.570570162745     -1.411998057766
 |      -2.445652376239      2.570570162745     -1.411998057766
 |       0.000000000000      2.570570162745      2.823996115530
 | 
 | -----------------------------------------
 | Tensile and shearing strain:  0.0159  0.0000
 | -----------------------------------------
 | Strain matrix is as follows:
 |           1.0000  0.0000  0.0000
 |           0.0000  1.0159  0.0000
 |           0.0000  0.0000  1.0000
 | -----------------------------------------
 | 
 | After affine pure deformation, the three lattice vectors:
 | 
 |       2.445652376239      2.611372863741     -1.411998057766
 |      -2.445652376239      2.611372863741     -1.411998057766
 |       0.000000000000      2.611372863741      2.823996115530
 
  AFFINE DEFORMATION      014/014
  ----------------------------------------------------------------------------- 
 | FREE ENERGY TOTEN      :     -79.97034684
 | ENERGY WITHOUT ENTROPY :     -79.97034684
 | ENERGY(SIMGA->0)       :     -79.97034684
 | Pxx (kB)               :           0.2168
 | Pyy (kB)               :         310.5637
 | Pzz (kB)               :           0.2168
 | Pxy (kB)               :           0.0000
 | Pyz (kB)               :           0.0000
 | Pzx (kB)               :           0.0000
 | PSTRESS (kB)           :             0.00
 | E-FERMI (eV)           :           7.5593
 | VOLUME (Ang^3)         :          54.1000
