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:
EAM_Dynamo_BonnyTerentyevPasianot_2011_FeNiCr__MO_677715648236_000
==== 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 14:54:21       -4.692076         3.797171
BFGS:    1 14:54:21       -5.227597         3.590890
BFGS:    2 14:54:21       -5.706758         3.595493
BFGS:    3 14:54:21       -6.112112         3.703649
BFGS:    4 14:54:21       -6.474173         3.411098
BFGS:    5 14:54:21       -6.790907         2.376499
BFGS:    6 14:54:21       -7.058664         1.960966
BFGS:    7 14:54:21       -7.221394         1.184732
BFGS:    8 14:54:21       -7.265964         1.223055
BFGS:    9 14:54:21       -7.280777         0.954788
BFGS:   10 14:54:21       -7.304694         0.330611
BFGS:   11 14:54:21       -7.309051         0.138797
BFGS:   12 14:54:22       -7.309818         0.008593
BFGS:   13 14:54:22       -7.309820         0.000824
BFGS:   14 14:54:22       -7.309820         0.000008
BFGS:   15 14:54:22       -7.309820         0.000000
BFGS:   16 14:54:22       -7.309820         0.000000
Minimization converged after 16 steps.
Maximum force component: 2.3326933861511711e-32 eV/Angstrom
Maximum stress component: 7.084866237138856e-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([[2.523340946007853, 1.3814988071130954e-17, 5.942743423055629e-37], [-1.2616704730039265, 2.1852773616522585, -3.866350922790449e-37], [3.850246427165093e-35, 6.03534632348423e-36, 4.381182594590087]])
forces =  [[ 2.33269339e-32 -1.34678115e-32  6.04532113e-69]
 [-2.33269339e-32  1.34678115e-32 -6.04532113e-69]]
stress =  [ 3.67689413e-11  3.67689413e-11  7.08486624e-11 -8.58284521e-34
 -3.71648099e-34  4.56279897e-28]
energy per atom =  -3.6549098641975797
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0