element(s):
['Cr']
AFLOW prototype label:
A_cF4_225_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.6528']
model name:
EAM_Dynamo_BonnyTerentyevPasianot_2011_FeNiCr__MO_677715648236_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cr']
representative atom coordinates =  [[0 0 0]]
spacegroup =  225
cell =  [[3.6528, 0, 0], [0, 3.6528, 0], [0, 0, 3.6528]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 16:51:04      -14.666035        0.8408
BFGS:    1 16:51:04      -14.693967        0.7087
BFGS:    2 16:51:04      -14.758307        0.1471
BFGS:    3 16:51:04      -14.761157        0.0021
BFGS:    4 16:51:04      -14.761158        0.0000
BFGS:    5 16:51:04      -14.761158        0.0000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.081466287268589e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cr', 'Cr', 'Cr', 'Cr']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [4.77228852e-50 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[3.5843797136428575, 2.5787220389342382e-33, -4.927654731131421e-34], [2.5767987112218142e-33, 3.5843797136428575, 2.382609296608601e-19], [2.2599833391657675e-33, 2.3826092966085655e-19, 3.5843797136428575]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 2.08146629e-11  2.08146629e-11  2.08146629e-11 -8.13532972e-28
  6.99550780e-35 -2.76880971e-52]
energy per atom =  -3.6902894647222393
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0