 
  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  1]
 | upward vector along Y axis is     y[  1  1 -2]
 | -----------------------------------------
 | Orientation matrix is as follows:
 |             0.577350    0.577350    0.577350
 |             0.408248    0.408248   -0.816497
 |            -0.707107    0.707107    0.000000
 | -----------------------------------------
 | 
 | After Projction, the three lattice vectors:
 | 
 |       2.040135049797      1.442593328248     -2.498644939185
 |       2.040135049797      1.442593328248      2.498644939185
 |       2.040135049797     -2.885186656495      0.000000000000
 
  KPPRA METHOD
  ----------------------------------------------------------------------------- 
 | After reading, the three lattice vectors:
 | 
 |    2.040135049797000   1.442593328248000  -2.498644939185000
 |    2.040135049797000   1.442593328248000   2.498644939185000
 |    2.040135049797000  -2.885186656495000   0.000000000000000
 |    C 
 |    8
 | -----------------------------------------
 | K-Point Per Reciprocal Atom is  8000
 | -----------------------------------------
 | 
 | Automatic mesh
 |   0
 | Gamma-centered
 |  10 10 10
 |   0  0  0
 
  AFFINE SIMPLE DEFORMATION      000/024
  ----------------------------------------------------------------------------- 
 | Before affine simple deformation, the three lattice vectors:
 | 
 |       2.040135049797      1.442593328248     -2.498644939185
 |       2.040135049797      1.442593328248      2.498644939185
 |       2.040135049797     -2.885186656495      0.000000000000
 | 
 | -----------------------------------------
 | 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 simple deformation, the three lattice vectors:
 | 
 |       2.040135049797      1.442593328248     -2.498644939185
 |       2.040135049797      1.442593328248      2.498644939185
 |       2.040135049797     -2.885186656495      0.000000000000
 
  AFFINE DEFORMATION      000/024
  ----------------------------------------------------------------------------- 
 | FREE ENERGY TOTEN      :     -80.98181301
 | ENERGY WITHOUT ENTROPY :     -80.98181301
 | ENERGY(SIMGA->0)       :     -80.98181301
 | Pxx (kB)               :          -0.0253
 | Pyy (kB)               :          -0.0253
 | Pzz (kB)               :          -0.0253
 | Pxy (kB)               :           0.0000
 | Pyz (kB)               :           0.0000
 | Pzx (kB)               :           0.0000
 | PSTRESS (kB)           :             0.00
 | E-FERMI (eV)           :          10.2416
 | VOLUME (Ang^3)         :          44.2000
 
  AFFINE SIMPLE DEFORMATION      001/024
  ----------------------------------------------------------------------------- 
 | Before affine simple deformation, the three lattice vectors:
 | 
 |       2.041407913112      1.443493378529     -2.500203872002
 |       2.041407913112      1.443493378529      2.500203872002
 |       2.041407913112     -2.886986757058      0.000000000000
 | 
 | -----------------------------------------
 | Tensile and shearing strain:  0.0000  0.0200
 | -----------------------------------------
 | Strain matrix is as follows:
 |           1.0000  0.0200  0.0000
 |           0.0000  1.0000  0.0000
 |           0.0000  0.0000  1.0000
 | -----------------------------------------
 | 
 | After affine simple deformation, the three lattice vectors:
 | 
 |       2.041407913112      1.484321536791     -2.500203872002
 |       2.041407913112      1.484321536791      2.500203872002
 |       2.041407913112     -2.846158598796      0.000000000000
 
  AFFINE DEFORMATION      001/024
  ----------------------------------------------------------------------------- 
 | FREE ENERGY TOTEN      :     -80.95432269
 | ENERGY WITHOUT ENTROPY :     -80.95432269
 | ENERGY(SIMGA->0)       :     -80.95432269
 | Pxx (kB)               :          -0.0599
 | Pyy (kB)               :          -0.0106
 | Pzz (kB)               :           0.0069
 | Pxy (kB)               :         -99.8863
 | Pyz (kB)               :           0.0000
 | Pzx (kB)               :           0.0000
 | PSTRESS (kB)           :             0.00
 | E-FERMI (eV)           :          10.3892
 | VOLUME (Ang^3)         :          44.2100
 
  AFFINE SIMPLE DEFORMATION      002/024
  ----------------------------------------------------------------------------- 
 | Before affine simple deformation, the three lattice vectors:
 | 
 |       2.041725625265      1.482689040775     -2.502730484787
 |       2.041725625265      1.482689040775      2.502730484787
 |       2.041725625265     -2.843028318423      0.000000000000
 | 
 | -----------------------------------------
 | Tensile and shearing strain:  0.0000  0.0196
 | -----------------------------------------
 | Strain matrix is as follows:
 |           1.0000  0.0196  0.0000
 |           0.0000  1.0000  0.0000
 |           0.0000  0.0000  1.0000
 | -----------------------------------------
 | 
 | After affine simple deformation, the three lattice vectors:
 | 
 |       2.041725625265      1.522722876565     -2.502730484787
 |       2.041725625265      1.522722876565      2.502730484787
 |       2.041725625265     -2.802994482633      0.000000000000
 
  AFFINE DEFORMATION      002/024
  ----------------------------------------------------------------------------- 
 | FREE ENERGY TOTEN      :     -80.87474534
 | ENERGY WITHOUT ENTROPY :     -80.87474534
 | ENERGY(SIMGA->0)       :     -80.87474534
 | Pxx (kB)               :          -0.1231
 | Pyy (kB)               :          -0.0300
 | Pzz (kB)               :           0.0233
 | Pxy (kB)               :        -194.0870
 | Pyz (kB)               :           0.0000
 | Pzx (kB)               :           0.0000
 | PSTRESS (kB)           :             0.00
 | E-FERMI (eV)           :          10.5167
 | VOLUME (Ang^3)         :          44.2200
 
  AFFINE SIMPLE DEFORMATION      003/024
  ----------------------------------------------------------------------------- 
 | Before affine simple deformation, the three lattice vectors:
 | 
 |       2.042639905878      1.520799454425     -2.505345602756
 |       2.042639905878      1.520799454425      2.505345602756
 |       2.042639905878     -2.799453889837      0.000000000000
 | 
 | -----------------------------------------
 | Tensile and shearing strain:  0.0000  0.0192
 | -----------------------------------------
 | Strain matrix is as follows:
 |           1.0000  0.0192  0.0000
 |           0.0000  1.0000  0.0000
 |           0.0000  0.0000  1.0000
 | -----------------------------------------
 | 
 | After affine simple deformation, the three lattice vectors:
 | 
 |       2.042639905878      1.560080991076     -2.505345602756
 |       2.042639905878      1.560080991076      2.505345602756
 |       2.042639905878     -2.760172353185      0.000000000000
 
  AFFINE DEFORMATION      003/024
  ----------------------------------------------------------------------------- 
 | FREE ENERGY TOTEN      :     -80.74828673
 | ENERGY WITHOUT ENTROPY :     -80.74828673
 | ENERGY(SIMGA->0)       :     -80.74828673
 | Pxx (kB)               :          -0.1184
 | Pyy (kB)               :          -0.0238
 | Pzz (kB)               :           0.0559
 | Pxy (kB)               :        -282.5386
 | Pyz (kB)               :           0.0000
 | Pzx (kB)               :           0.0000
 | PSTRESS (kB)           :             0.00
 | E-FERMI (eV)           :          10.6812
 | VOLUME (Ang^3)         :          44.2300
 
  AFFINE SIMPLE DEFORMATION      004/024
  ----------------------------------------------------------------------------- 
 | Before affine simple deformation, the three lattice vectors:
 | 
 |       2.044045275935      1.557888294531     -2.508008040245
 |       2.044045275935      1.557888294531      2.508008040245
 |       2.044045275935     -2.756292926144      0.000000000000
 | 
 | -----------------------------------------
 | Tensile and shearing strain:  0.0000  0.0189
 | -----------------------------------------
 | Strain matrix is as follows:
 |           1.0000  0.0189  0.0000
 |           0.0000  1.0000  0.0000
 |           0.0000  0.0000  1.0000
 | -----------------------------------------
 | 
 | After affine simple deformation, the three lattice vectors:
 | 
 |       2.044045275935      1.596455186530     -2.508008040245
 |       2.044045275935      1.596455186530      2.508008040245
 |       2.044045275935     -2.717726034145      0.000000000000
 
  AFFINE DEFORMATION      004/024
  ----------------------------------------------------------------------------- 
 | FREE ENERGY TOTEN      :     -80.57966204
 | ENERGY WITHOUT ENTROPY :     -80.57966204
 | ENERGY(SIMGA->0)       :     -80.57966204
 | Pxx (kB)               :          -0.0505
 | Pyy (kB)               :           0.0201
 | Pzz (kB)               :           0.0958
 | Pxy (kB)               :        -365.2570
 | Pyz (kB)               :           0.0000
 | Pzx (kB)               :           0.0000
 | PSTRESS (kB)           :             0.00
 | E-FERMI (eV)           :          10.7606
 | VOLUME (Ang^3)         :          44.2500
 
  AFFINE SIMPLE DEFORMATION      005/024
  ----------------------------------------------------------------------------- 
 | Before affine simple deformation, the three lattice vectors:
 | 
 |       2.045871200516      1.594035439192     -2.510685652505
 |       2.045871200516      1.594035439192      2.510685652505
 |       2.045871200516     -2.713606776434      0.000000000000
 | 
 | -----------------------------------------
 | Tensile and shearing strain:  0.0000  0.0185
 | -----------------------------------------
 | Strain matrix is as follows:
 |           1.0000  0.0185  0.0000
 |           0.0000  1.0000  0.0000
 |           0.0000  0.0000  1.0000
 | -----------------------------------------
 | 
 | After affine simple deformation, the three lattice vectors:
 | 
 |       2.045871200516      1.631921942905     -2.510685652505
 |       2.045871200516      1.631921942905      2.510685652505
 |       2.045871200516     -2.675720272721      0.000000000000
 
  AFFINE DEFORMATION      005/024
  ----------------------------------------------------------------------------- 
 | FREE ENERGY TOTEN      :     -80.37332913
 | ENERGY WITHOUT ENTROPY :     -80.37332913
 | ENERGY(SIMGA->0)       :     -80.37332913
 | Pxx (kB)               :          -0.0250
 | Pyy (kB)               :           0.0328
 | Pzz (kB)               :           0.1333
 | Pxy (kB)               :        -442.3027
 | Pyz (kB)               :           0.0000
 | Pzx (kB)               :           0.0000
 | PSTRESS (kB)           :             0.00
 | E-FERMI (eV)           :          10.8278
 | VOLUME (Ang^3)         :          44.2800
 
  AFFINE SIMPLE DEFORMATION      006/024
  ----------------------------------------------------------------------------- 
 | Before affine simple deformation, the three lattice vectors:
 | 
 |       2.048073319840      1.629322907464     -2.513342080827
 |       2.048073319840      1.629322907464      2.513342080827
 |       2.048073319840     -2.671458860679      0.000000000000
 | 
 | -----------------------------------------
 | Tensile and shearing strain:  0.0000  0.0182
 | -----------------------------------------
 | Strain matrix is as follows:
 |           1.0000  0.0182  0.0000
 |           0.0000  1.0000  0.0000
 |           0.0000  0.0000  1.0000
 | -----------------------------------------
 | 
 | After affine simple deformation, the three lattice vectors:
 | 
 |       2.048073319840      1.666560604188     -2.513342080827
 |       2.048073319840      1.666560604188      2.513342080827
 |       2.048073319840     -2.634221163955      0.000000000000
 
  AFFINE DEFORMATION      006/024
  ----------------------------------------------------------------------------- 
 | FREE ENERGY TOTEN      :     -80.13337205
 | ENERGY WITHOUT ENTROPY :     -80.13337205
 | ENERGY(SIMGA->0)       :     -80.13337205
 | Pxx (kB)               :          -0.1082
 | Pyy (kB)               :          -0.0092
 | Pzz (kB)               :           0.1216
 | Pxy (kB)               :        -513.7305
 | Pyz (kB)               :           0.0000
 | Pzx (kB)               :           0.0000
 | PSTRESS (kB)           :             0.00
 | E-FERMI (eV)           :          11.0175
 | VOLUME (Ang^3)         :          44.3100
 
  AFFINE SIMPLE DEFORMATION      007/024
  ----------------------------------------------------------------------------- 
 | Before affine simple deformation, the three lattice vectors:
 | 
 |       2.050620989995      1.663834552107     -2.515953948012
 |       2.050620989995      1.663834552107      2.515953948012
 |       2.050620989995     -2.629912275297      0.000000000000
 | 
 | -----------------------------------------
 | Tensile and shearing strain:  0.0000  0.0179
 | -----------------------------------------
 | Strain matrix is as follows:
 |           1.0000  0.0179  0.0000
 |           0.0000  1.0000  0.0000
 |           0.0000  0.0000  1.0000
 | -----------------------------------------
 | 
 | After affine simple deformation, the three lattice vectors:
 | 
 |       2.050620989995      1.700452784071     -2.515953948012
 |       2.050620989995      1.700452784071      2.515953948012
 |       2.050620989995     -2.593294043333      0.000000000000
 
  AFFINE DEFORMATION      007/024
  ----------------------------------------------------------------------------- 
 | FREE ENERGY TOTEN      :     -79.86369371
 | ENERGY WITHOUT ENTROPY :     -79.86369371
 | ENERGY(SIMGA->0)       :     -79.86369371
 | Pxx (kB)               :          -0.2035
 | Pyy (kB)               :          -0.0803
 | Pzz (kB)               :           0.0981
 | Pxy (kB)               :        -579.6729
 | Pyz (kB)               :           0.0000
 | Pzx (kB)               :           0.0000
 | PSTRESS (kB)           :             0.00
 | E-FERMI (eV)           :          11.1131
 | VOLUME (Ang^3)         :          44.3400
 
  AFFINE SIMPLE DEFORMATION      008/024
  ----------------------------------------------------------------------------- 
 | Before affine simple deformation, the three lattice vectors:
 | 
 |       2.053450839994      1.697640933767     -2.518486107002
 |       2.053450839994      1.697640933767      2.518486107002
 |       2.053450839994     -2.589005800395      0.000000000000
 | 
 | -----------------------------------------
 | Tensile and shearing strain:  0.0000  0.0175
 | -----------------------------------------
 | Strain matrix is as follows:
 |           1.0000  0.0175  0.0000
 |           0.0000  1.0000  0.0000
 |           0.0000  0.0000  1.0000
 | -----------------------------------------
 | 
 | After affine simple deformation, the three lattice vectors:
 | 
 |       2.053450839994      1.733666387100     -2.518486107002
 |       2.053450839994      1.733666387100      2.518486107002
 |       2.053450839994     -2.552980347062      0.000000000000
 
  AFFINE DEFORMATION      008/024
  ----------------------------------------------------------------------------- 
 | FREE ENERGY TOTEN      :     -79.56789444
 | ENERGY WITHOUT ENTROPY :     -79.56789444
 | ENERGY(SIMGA->0)       :     -79.56789444
 | Pxx (kB)               :          -0.2424
 | Pyy (kB)               :          -0.1524
 | Pzz (kB)               :           0.0870
 | Pxy (kB)               :        -640.2591
 | Pyz (kB)               :           0.0000
 | Pzx (kB)               :           0.0000
 | PSTRESS (kB)           :             0.00
 | E-FERMI (eV)           :          11.1654
 | VOLUME (Ang^3)         :          44.3700
 
  AFFINE SIMPLE DEFORMATION      009/024
  ----------------------------------------------------------------------------- 
 | Before affine simple deformation, the three lattice vectors:
 | 
 |       2.056513439239      1.730808975887     -2.520910992590
 |       2.056513439239      1.730808975887      2.520910992590
 |       2.056513439239     -2.548772550958      0.000000000000
 | 
 | -----------------------------------------
 | Tensile and shearing strain:  0.0000  0.0172
 | -----------------------------------------
 | Strain matrix is as follows:
 |           1.0000  0.0172  0.0000
 |           0.0000  1.0000  0.0000
 |           0.0000  0.0000  1.0000
 | -----------------------------------------
 | 
 | After affine simple deformation, the three lattice vectors:
 | 
 |       2.056513439239      1.766266104150     -2.520910992590
 |       2.056513439239      1.766266104150      2.520910992590
 |       2.056513439239     -2.513315422695      0.000000000000
 
  AFFINE DEFORMATION      009/024
  ----------------------------------------------------------------------------- 
 | FREE ENERGY TOTEN      :     -79.24928357
 | ENERGY WITHOUT ENTROPY :     -79.24928357
 | ENERGY(SIMGA->0)       :     -79.24928357
 | Pxx (kB)               :          -0.2546
 | Pyy (kB)               :          -0.1950
 | Pzz (kB)               :           0.0657
 | Pxy (kB)               :        -695.6385
 | Pyz (kB)               :           0.0000
 | Pzx (kB)               :           0.0000
 | PSTRESS (kB)           :             0.00
 | E-FERMI (eV)           :          11.1887
 | VOLUME (Ang^3)         :          44.4100
 
  AFFINE SIMPLE DEFORMATION      010/024
  ----------------------------------------------------------------------------- 
 | Before affine simple deformation, the three lattice vectors:
 | 
 |       2.059785886478      1.763400375885     -2.523205599967
 |       2.059785886478      1.763400375885      2.523205599967
 |       2.059785886478     -2.509237623190      0.000000000000
 | 
 | -----------------------------------------
 | Tensile and shearing strain:  0.0000  0.0169
 | -----------------------------------------
 | Strain matrix is as follows:
 |           1.0000  0.0169  0.0000
 |           0.0000  1.0000  0.0000
 |           0.0000  0.0000  1.0000
 | -----------------------------------------
 | 
 | After affine simple deformation, the three lattice vectors:
 | 
 |       2.059785886478      1.798312001080     -2.523205599967
 |       2.059785886478      1.798312001080      2.523205599967
 |       2.059785886478     -2.474325997995      0.000000000000
 
  AFFINE DEFORMATION      010/024
  ----------------------------------------------------------------------------- 
 | FREE ENERGY TOTEN      :     -78.91100750
 | ENERGY WITHOUT ENTROPY :     -78.91100750
 | ENERGY(SIMGA->0)       :     -78.91100750
 | Pxx (kB)               :          -0.2406
 | Pyy (kB)               :          -0.2208
 | Pzz (kB)               :           0.0409
 | Pxy (kB)               :        -745.9837
 | Pyz (kB)               :           0.0000
 | Pzx (kB)               :           0.0000
 | PSTRESS (kB)           :             0.00
 | E-FERMI (eV)           :          11.2128
 | VOLUME (Ang^3)         :          44.4500
 
  AFFINE SIMPLE DEFORMATION      011/024
  ----------------------------------------------------------------------------- 
 | Before affine simple deformation, the three lattice vectors:
 | 
 |       2.063233523373      1.795471126448     -2.525354788071
 |       2.063233523373      1.795471126448      2.525354788071
 |       2.063233523373     -2.470417193541      0.000000000000
 | 
 | -----------------------------------------
 | Tensile and shearing strain:  0.0000  0.0167
 | -----------------------------------------
 | Strain matrix is as follows:
 |           1.0000  0.0167  0.0000
 |           0.0000  1.0000  0.0000
 |           0.0000  0.0000  1.0000
 | -----------------------------------------
 | 
 | After affine simple deformation, the three lattice vectors:
 | 
 |       2.063233523373      1.829858351838     -2.525354788071
 |       2.063233523373      1.829858351838      2.525354788071
 |       2.063233523373     -2.436029968151      0.000000000000
 
  AFFINE DEFORMATION      011/024
  ----------------------------------------------------------------------------- 
 | FREE ENERGY TOTEN      :     -78.55636325
 | ENERGY WITHOUT ENTROPY :     -78.55636325
 | ENERGY(SIMGA->0)       :     -78.55636325
 | Pxx (kB)               :          -0.2209
 | Pyy (kB)               :          -0.2163
 | Pzz (kB)               :           0.0146
 | Pxy (kB)               :        -790.0969
 | Pyz (kB)               :           0.0000
 | Pzx (kB)               :           0.0000
 | PSTRESS (kB)           :             0.00
 | E-FERMI (eV)           :          11.0413
 | VOLUME (Ang^3)         :          44.5000
 
  AFFINE SIMPLE DEFORMATION      012/024
  ----------------------------------------------------------------------------- 
 | Before affine simple deformation, the three lattice vectors:
 | 
 |       2.066863497504      1.827027783807     -2.527272666216
 |       2.066863497504      1.827027783807      2.527272666216
 |       2.066863497504     -2.432261726449      0.000000000000
 | 
 | -----------------------------------------
 | Tensile and shearing strain:  0.0000  0.0164
 | -----------------------------------------
 | Strain matrix is as follows:
 |           1.0000  0.0164  0.0000
 |           0.0000  1.0000  0.0000
 |           0.0000  0.0000  1.0000
 | -----------------------------------------
 | 
 | After affine simple deformation, the three lattice vectors:
 | 
 |       2.066863497504      1.860910791963     -2.527272666216
 |       2.066863497504      1.860910791963      2.527272666216
 |       2.066863497504     -2.398378718293      0.000000000000
 
  AFFINE DEFORMATION      012/024
  ----------------------------------------------------------------------------- 
 | FREE ENERGY TOTEN      :     -78.18834332
 | ENERGY WITHOUT ENTROPY :     -78.18834230
 | ENERGY(SIMGA->0)       :     -78.18834281
 | Pxx (kB)               :          -0.1928
 | Pyy (kB)               :          -0.2127
 | Pzz (kB)               :          -0.0007
 | Pxy (kB)               :        -828.6925
 | Pyz (kB)               :           0.0000
 | Pzx (kB)               :           0.0000
 | PSTRESS (kB)           :             0.00
 | E-FERMI (eV)           :          10.8821
 | VOLUME (Ang^3)         :          44.5400
 
  AFFINE SIMPLE DEFORMATION      013/024
  ----------------------------------------------------------------------------- 
 | Before affine simple deformation, the three lattice vectors:
 | 
 |       2.070566429304      1.858071024357     -2.529080093183
 |       2.070566429304      1.858071024357      2.529080093183
 |       2.070566429304     -2.394718769509      0.000000000000
 | 
 | -----------------------------------------
 | Tensile and shearing strain:  0.0000  0.0161
 | -----------------------------------------
 | Strain matrix is as follows:
 |           1.0000  0.0161  0.0000
 |           0.0000  1.0000  0.0000
 |           0.0000  0.0000  1.0000
 | -----------------------------------------
 | 
 | After affine simple deformation, the three lattice vectors:
 | 
 |       2.070566429304      1.891467257088     -2.529080093183
 |       2.070566429304      1.891467257088      2.529080093183
 |       2.070566429304     -2.361322536778      0.000000000000
 
  AFFINE DEFORMATION      013/024
  ----------------------------------------------------------------------------- 
 | FREE ENERGY TOTEN      :     -77.81113673
 | ENERGY WITHOUT ENTROPY :     -77.81111141
 | ENERGY(SIMGA->0)       :     -77.81112407
 | Pxx (kB)               :           0.0403
 | Pyy (kB)               :          -0.1515
 | Pzz (kB)               :           0.1336
 | Pxy (kB)               :        -853.2394
 | Pyz (kB)               :           0.0000
 | Pzx (kB)               :           0.0000
 | PSTRESS (kB)           :             0.00
 | E-FERMI (eV)           :          10.8157
 | VOLUME (Ang^3)         :          44.5700
 
  AFFINE SIMPLE DEFORMATION      014/024
  ----------------------------------------------------------------------------- 
 | Before affine simple deformation, the three lattice vectors:
 | 
 |       2.074458911937      1.888371738074     -2.530245879857
 |       2.074458911937      1.888371738074      2.530245879857
 |       2.074458911937     -2.357458066598      0.000000000000
 | 
 | -----------------------------------------
 | Tensile and shearing strain:  0.0000  0.0159
 | -----------------------------------------
 | Strain matrix is as follows:
 |           1.0000  0.0159  0.0000
 |           0.0000  1.0000  0.0000
 |           0.0000  0.0000  1.0000
 | -----------------------------------------
 | 
 | After affine simple deformation, the three lattice vectors:
 | 
 |       2.074458911937      1.921299657311     -2.530245879857
 |       2.074458911937      1.921299657311      2.530245879857
 |       2.074458911937     -2.324530147361      0.000000000000
 
  AFFINE DEFORMATION      014/024
  ----------------------------------------------------------------------------- 
 | FREE ENERGY TOTEN      :     -77.42921632
 | ENERGY WITHOUT ENTROPY :     -77.42918744
 | ENERGY(SIMGA->0)       :     -77.42920188
 | Pxx (kB)               :          -0.0565
 | Pyy (kB)               :           0.0339
 | Pzz (kB)               :           0.2324
 | Pxy (kB)               :        -878.3732
 | Pyz (kB)               :           0.0000
 | Pzx (kB)               :           0.0000
 | PSTRESS (kB)           :             0.00
 | E-FERMI (eV)           :          10.6566
 | VOLUME (Ang^3)         :          44.6100
 
  AFFINE SIMPLE DEFORMATION      015/024
  ----------------------------------------------------------------------------- 
 | Before affine simple deformation, the three lattice vectors:
 | 
 |       2.078290749202      1.918414638380     -2.531442961474
 |       2.078290749202      1.918414638380      2.531442961474
 |       2.078290749202     -2.321039638499      0.000000000000
 | 
 | -----------------------------------------
 | Tensile and shearing strain:  0.0000  0.0156
 | -----------------------------------------
 | Strain matrix is as follows:
 |           1.0000  0.0156  0.0000
 |           0.0000  1.0000  0.0000
 |           0.0000  0.0000  1.0000
 | -----------------------------------------
 | 
 | After affine simple deformation, the three lattice vectors:
 | 
 |       2.078290749202      1.950887931336     -2.531442961474
 |       2.078290749202      1.950887931336      2.531442961474
 |       2.078290749202     -2.288566345543      0.000000000000
 
  AFFINE DEFORMATION      015/024
  ----------------------------------------------------------------------------- 
 | FREE ENERGY TOTEN      :     -77.04175759
 | ENERGY WITHOUT ENTROPY :     -77.04171327
 | ENERGY(SIMGA->0)       :     -77.04173543
 | Pxx (kB)               :           0.1042
 | Pyy (kB)               :           0.0250
 | Pzz (kB)               :           0.2325
 | Pxy (kB)               :        -902.8074
 | Pyz (kB)               :           0.0000
 | Pzx (kB)               :           0.0000
 | PSTRESS (kB)           :             0.00
 | E-FERMI (eV)           :          10.6110
 | VOLUME (Ang^3)         :          44.6500
 
  AFFINE SIMPLE DEFORMATION      016/024
  ----------------------------------------------------------------------------- 
 | Before affine simple deformation, the three lattice vectors:
 | 
 |       2.081975544624      1.948138798340     -2.532841465324
 |       2.081975544624      1.948138798340      2.532841465324
 |       2.081975544624     -2.285341366213      0.000000000000
 | 
 | -----------------------------------------
 | Tensile and shearing strain:  0.0000  0.0154
 | -----------------------------------------
 | Strain matrix is as follows:
 |           1.0000  0.0154  0.0000
 |           0.0000  1.0000  0.0000
 |           0.0000  0.0000  1.0000
 | -----------------------------------------
 | 
 | After affine simple deformation, the three lattice vectors:
 | 
 |       2.081975544624      1.980169191334     -2.532841465324
 |       2.081975544624      1.980169191334      2.532841465324
 |       2.081975544624     -2.253310973219      0.000000000000
 
  AFFINE DEFORMATION      016/024
  ----------------------------------------------------------------------------- 
 | FREE ENERGY TOTEN      :     -76.65030898
 | ENERGY WITHOUT ENTROPY :     -76.65030898
 | ENERGY(SIMGA->0)       :     -76.65030898
 | Pxx (kB)               :          -0.1880
 | Pyy (kB)               :          -0.1748
 | Pzz (kB)               :           0.0555
 | Pxy (kB)               :        -926.8189
 | Pyz (kB)               :           0.0000
 | Pzx (kB)               :           0.0000
 | PSTRESS (kB)           :             0.00
 | E-FERMI (eV)           :          10.5574
 | VOLUME (Ang^3)         :          44.7000
 
  AFFINE SIMPLE DEFORMATION      017/024
  ----------------------------------------------------------------------------- 
 | Before affine simple deformation, the three lattice vectors:
 | 
 |       2.085814231527      1.977732484490     -2.533968414214
 |       2.085814231527      1.977732484490      2.533968414214
 |       2.085814231527     -2.250538150425      0.000000000000
 | 
 | -----------------------------------------
 | Tensile and shearing strain:  0.0000  0.0152
 | -----------------------------------------
 | Strain matrix is as follows:
 |           1.0000  0.0152  0.0000
 |           0.0000  1.0000  0.0000
 |           0.0000  0.0000  1.0000
 | -----------------------------------------
 | 
 | After affine simple deformation, the three lattice vectors:
 | 
 |       2.085814231527      2.009335730422     -2.533968414214
 |       2.085814231527      2.009335730422      2.533968414214
 |       2.085814231527     -2.218934904493      0.000000000000
 
  AFFINE DEFORMATION      017/024
  ----------------------------------------------------------------------------- 
 | FREE ENERGY TOTEN      :     -76.25601054
 | ENERGY WITHOUT ENTROPY :     -76.25598882
 | ENERGY(SIMGA->0)       :     -76.25599968
 | Pxx (kB)               :          -0.1914
 | Pyy (kB)               :          -0.2284
 | Pzz (kB)               :          -0.1350
 | Pxy (kB)               :        -939.9514
 | Pyz (kB)               :           0.0000
 | Pzx (kB)               :           0.0000
 | PSTRESS (kB)           :             0.00
 | E-FERMI (eV)           :          10.4821
 | VOLUME (Ang^3)         :          44.7400
 
  AFFINE SIMPLE DEFORMATION      018/024
  ----------------------------------------------------------------------------- 
 | Before affine simple deformation, the three lattice vectors:
 | 
 |       2.089856768100      2.007060212688     -2.534181435473
 |       2.089856768100      2.007060212688      2.534181435473
 |       2.089856768100     -2.216422021430      0.000000000000
 | 
 | -----------------------------------------
 | Tensile and shearing strain:  0.0000  0.0149
 | -----------------------------------------
 | Strain matrix is as follows:
 |           1.0000  0.0149  0.0000
 |           0.0000  1.0000  0.0000
 |           0.0000  0.0000  1.0000
 | -----------------------------------------
 | 
 | After affine simple deformation, the three lattice vectors:
 | 
 |       2.089856768100      2.038252104749     -2.534181435473
 |       2.089856768100      2.038252104749      2.534181435473
 |       2.089856768100     -2.185230129369      0.000000000000
 
  AFFINE DEFORMATION      018/024
  ----------------------------------------------------------------------------- 
 | FREE ENERGY TOTEN      :     -75.86302551
 | ENERGY WITHOUT ENTROPY :     -75.86297502
 | ENERGY(SIMGA->0)       :     -75.86300026
 | Pxx (kB)               :           0.0620
 | Pyy (kB)               :          -0.0572
 | Pzz (kB)               :           0.0767
 | Pxy (kB)               :        -948.8512
 | Pyz (kB)               :           0.0000
 | Pzx (kB)               :           0.0000
 | PSTRESS (kB)           :             0.00
 | E-FERMI (eV)           :          10.3900
 | VOLUME (Ang^3)         :          44.7700
 
  AFFINE SIMPLE DEFORMATION      019/024
  ----------------------------------------------------------------------------- 
 | Before affine simple deformation, the three lattice vectors:
 | 
 |       2.093657521770      2.036241051105     -2.534223566932
 |       2.093657521770      2.036241051105      2.534223566932
 |       2.093657521770     -2.183074058976      0.000000000000
 | 
 | -----------------------------------------
 | Tensile and shearing strain:  0.0000  0.0147
 | -----------------------------------------
 | Strain matrix is as follows:
 |           1.0000  0.0147  0.0000
 |           0.0000  1.0000  0.0000
 |           0.0000  0.0000  1.0000
 | -----------------------------------------
 | 
 | After affine simple deformation, the three lattice vectors:
 | 
 |       2.093657521770      2.067030132307     -2.534223566932
 |       2.093657521770      2.067030132307      2.534223566932
 |       2.093657521770     -2.152284977774      0.000000000000
 
  AFFINE DEFORMATION      019/024
  ----------------------------------------------------------------------------- 
 | FREE ENERGY TOTEN      :     -75.47138718
 | ENERGY WITHOUT ENTROPY :     -75.47135644
 | ENERGY(SIMGA->0)       :     -75.47137181
 | Pxx (kB)               :          -0.1628
 | Pyy (kB)               :          -0.1038
 | Pzz (kB)               :           0.1271
 | Pxy (kB)               :        -957.7676
 | Pyz (kB)               :           0.0000
 | Pzx (kB)               :           0.0000
 | PSTRESS (kB)           :             0.00
 | E-FERMI (eV)           :          10.3683
 | VOLUME (Ang^3)         :          44.8200
 
  AFFINE SIMPLE DEFORMATION      020/024
  ----------------------------------------------------------------------------- 
 | Before affine simple deformation, the three lattice vectors:
 | 
 |       2.097535195339      2.065485703826     -2.533997455862
 |       2.097535195339      2.065485703826      2.533997455862
 |       2.097535195339     -2.150676849200      0.000000000000
 | 
 | -----------------------------------------
 | Tensile and shearing strain:  0.0000  0.0145
 | -----------------------------------------
 | Strain matrix is as follows:
 |           1.0000  0.0145  0.0000
 |           0.0000  1.0000  0.0000
 |           0.0000  0.0000  1.0000
 | -----------------------------------------
 | 
 | After affine simple deformation, the three lattice vectors:
 | 
 |       2.097535195339      2.095884764628     -2.533997455862
 |       2.097535195339      2.095884764628      2.533997455862
 |       2.097535195339     -2.120277788398      0.000000000000
 
  AFFINE DEFORMATION      020/024
  ----------------------------------------------------------------------------- 
 | FREE ENERGY TOTEN      :     -75.08191504
 | ENERGY WITHOUT ENTROPY :     -75.08189182
 | ENERGY(SIMGA->0)       :     -75.08190343
 | Pxx (kB)               :          -0.2839
 | Pyy (kB)               :          -0.0422
 | Pzz (kB)               :           0.0674
 | Pxy (kB)               :        -966.3545
 | Pyz (kB)               :           0.0000
 | Pzx (kB)               :           0.0000
 | PSTRESS (kB)           :             0.00
 | E-FERMI (eV)           :          10.3636
 | VOLUME (Ang^3)         :          44.8600
 
  AFFINE SIMPLE DEFORMATION      021/024
  ----------------------------------------------------------------------------- 
 | Before affine simple deformation, the three lattice vectors:
 | 
 |       2.101113202304      2.094251539353     -2.534105547624
 |       2.101113202304      2.094251539353      2.534105547624
 |       2.101113202304     -2.118625554777      0.000000000000
 | 
 | -----------------------------------------
 | Tensile and shearing strain:  0.0000  0.0143
 | -----------------------------------------
 | Strain matrix is as follows:
 |           1.0000  0.0143  0.0000
 |           0.0000  1.0000  0.0000
 |           0.0000  0.0000  1.0000
 | -----------------------------------------
 | 
 | After affine simple deformation, the three lattice vectors:
 | 
 |       2.101113202304      2.124267442243     -2.534105547624
 |       2.101113202304      2.124267442243      2.534105547624
 |       2.101113202304     -2.088609651887      0.000000000000
 
  AFFINE DEFORMATION      021/024
  ----------------------------------------------------------------------------- 
 | FREE ENERGY TOTEN      :     -80.85321438
 | ENERGY WITHOUT ENTROPY :     -80.85318416
 | ENERGY(SIMGA->0)       :     -80.85319927
 | Pxx (kB)               :           0.1230
 | Pyy (kB)               :           0.0593
 | Pzz (kB)               :          -0.0519
 | Pxy (kB)               :           0.6054
 | Pyz (kB)               :           0.0000
 | Pzx (kB)               :           0.0000
 | PSTRESS (kB)           :             0.00
 | E-FERMI (eV)           :           5.2284
 | VOLUME (Ang^3)         :          67.7000
 
  AFFINE SIMPLE DEFORMATION      022/024
  ----------------------------------------------------------------------------- 
 | Before affine simple deformation, the three lattice vectors:
 | 
 |       2.118315360113      3.292204602743     -2.447534407668
 |       2.118315360113      3.292204602743      2.447534407668
 |       2.118315360113     -3.236941908790      0.000000000000
 | 
 | -----------------------------------------
 | Tensile and shearing strain:  0.0000  0.0141
 | -----------------------------------------
 | Strain matrix is as follows:
 |           1.0000  0.0141  0.0000
 |           0.0000  1.0000  0.0000
 |           0.0000  0.0000  1.0000
 | -----------------------------------------
 | 
 | After affine simple deformation, the three lattice vectors:
 | 
 |       2.118315360113      3.322040030350     -2.447534407668
 |       2.118315360113      3.322040030350      2.447534407668
 |       2.118315360113     -3.207106481183      0.000000000000
 
  AFFINE DEFORMATION      022/024
  ----------------------------------------------------------------------------- 
 | FREE ENERGY TOTEN      :     -80.88137385
 | ENERGY WITHOUT ENTROPY :     -80.88134685
 | ENERGY(SIMGA->0)       :     -80.88136035
 | Pxx (kB)               :          -0.1157
 | Pyy (kB)               :          -0.0305
 | Pzz (kB)               :          -0.0374
 | Pxy (kB)               :           0.9271
 | Pyz (kB)               :           0.0000
 | Pzx (kB)               :           0.0000
 | PSTRESS (kB)           :             0.00
 | E-FERMI (eV)           :           4.9631
 | VOLUME (Ang^3)         :          69.6000
 
  AFFINE SIMPLE DEFORMATION      023/024
  ----------------------------------------------------------------------------- 
 | Before affine simple deformation, the three lattice vectors:
 | 
 |       2.118175546479      3.415229638687     -2.447644095337
 |       2.118175546479      3.415229638687      2.447644095337
 |       2.118175546479     -3.297071982546      0.000000000000
 | 
 | -----------------------------------------
 | Tensile and shearing strain:  0.0000  0.0139
 | -----------------------------------------
 | Strain matrix is as follows:
 |           1.0000  0.0139  0.0000
 |           0.0000  1.0000  0.0000
 |           0.0000  0.0000  1.0000
 | -----------------------------------------
 | 
 | After affine simple deformation, the three lattice vectors:
 | 
 |       2.118175546479      3.444648743499     -2.447644095337
 |       2.118175546479      3.444648743499      2.447644095337
 |       2.118175546479     -3.267652877734      0.000000000000
 
  AFFINE DEFORMATION      023/024
  ----------------------------------------------------------------------------- 
 | FREE ENERGY TOTEN      :     -80.88358588
 | ENERGY WITHOUT ENTROPY :     -80.88356196
 | ENERGY(SIMGA->0)       :     -80.88357392
 | Pxx (kB)               :           0.0121
 | Pyy (kB)               :          -0.0320
 | Pzz (kB)               :          -0.0031
 | Pxy (kB)               :           1.3032
 | Pyz (kB)               :           0.0000
 | Pzx (kB)               :           0.0000
 | PSTRESS (kB)           :             0.00
 | E-FERMI (eV)           :           4.9554
 | VOLUME (Ang^3)         :          69.5600
 
  AFFINE SIMPLE DEFORMATION      024/024
  ----------------------------------------------------------------------------- 
 | Before affine simple deformation, the three lattice vectors:
 | 
 |       2.117063701840      3.444685654666     -2.447625548963
 |       2.117063701840      3.444685654666      2.447625548963
 |       2.117063701840     -3.267687892300      0.000000000000
 | 
 | -----------------------------------------
 | Tensile and shearing strain:  0.0000  0.0137
 | -----------------------------------------
 | Strain matrix is as follows:
 |           1.0000  0.0137  0.0000
 |           0.0000  1.0000  0.0000
 |           0.0000  0.0000  1.0000
 | -----------------------------------------
 | 
 | After affine simple deformation, the three lattice vectors:
 | 
 |       2.117063701840      3.473686527294     -2.447625548963
 |       2.117063701840      3.473686527294      2.447625548963
 |       2.117063701840     -3.238687019672      0.000000000000
 
  AFFINE DEFORMATION      024/024
  ----------------------------------------------------------------------------- 
 | FREE ENERGY TOTEN      :     -80.88444445
 | ENERGY WITHOUT ENTROPY :     -80.88442095
 | ENERGY(SIMGA->0)       :     -80.88443270
 | Pxx (kB)               :           0.0144
 | Pyy (kB)               :          -0.0205
 | Pzz (kB)               :          -0.0024
 | Pxy (kB)               :           1.6276
 | Pyz (kB)               :           0.0000
 | Pzx (kB)               :           0.0000
 | PSTRESS (kB)           :             0.00
 | E-FERMI (eV)           :           4.9500
 | VOLUME (Ang^3)         :          69.5200
