element(s):
['Cr']
AFLOW prototype label:
A_hP2_194_c
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.0849', '1.6535058']
model name:
Morse_Shifted_GirifalcoWeizer_1959MedCutoff_Cr__MO_245813471114_004
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cr']
representative atom coordinates =  [[0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[3.0849, 0, 0], [-1.54245, 2.6716017681346, 0], [0, 0, 5.1009]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 14:56:09       -5.156030         3.179663
BFGS:    1 14:56:09       -5.584560         3.256544
BFGS:    2 14:56:09       -6.059647         3.278808
BFGS:    3 14:56:09       -6.523485         3.185018
BFGS:    4 14:56:09       -6.959861         2.915713
BFGS:    5 14:56:09       -7.338544         2.430380
BFGS:    6 14:56:09       -7.619470         1.618889
BFGS:    7 14:56:09       -7.756970         0.424206
BFGS:    8 14:56:09       -7.762233         0.122195
BFGS:    9 14:56:09       -7.762681         0.044907
BFGS:   10 14:56:09       -7.762719         0.033807
BFGS:   11 14:56:09       -7.762759         0.000216
BFGS:   12 14:56:09       -7.762759         0.000005
BFGS:   13 14:56:10       -7.762759         0.000000
BFGS:   14 14:56:10       -7.762759         0.000000
Minimization converged after 14 steps.
Maximum force component: 2.6314574271426926e-32 eV/Angstrom
Maximum stress component: 3.375356777764828e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cr', 'Cr']
basis =  [[0.33333333 0.66666667 0.25      ]
 [0.66666666 0.33333334 0.75      ]]
cellpar =  Cell([[2.5618702748102145, -2.81943603134226e-17, 7.510895687590488e-37], [-1.2809351374051072, 2.2186447391858657, 4.017123170182021e-36], [9.419564548813347e-36, 1.289451431426458e-35, 4.180692221674139]])
forces =  [[-2.63145743e-32  9.11563592e-33  1.03330262e-68]
 [ 2.63145743e-32 -9.11563592e-33 -1.03330262e-68]]
stress =  [ 1.16363743e-11  1.16363743e-11 -3.37535678e-11  1.77183483e-33
  7.67226985e-34 -8.97684384e-28]
energy per atom =  -3.881379312654793
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0