element(s):
['Cr', 'Ni']
AFLOW prototype label:
A3B_cP4_221_c_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.5867']
model name:
EAM_Dynamo_ZhouFosterSills_2018_FeNiCr__MO_036303866285_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cr', 'Ni']
representative atom coordinates =  [[0.  0.5 0.5]
 [0.  0.  0. ]]
spacegroup =  221
cell =  [[3.5867, 0, 0], [0, 3.5867, 0], [0, 0, 3.5867]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:06:31      -17.323111         0.139137
BFGS:    1 16:06:31      -17.323886         0.120778
BFGS:    2 16:06:31      -17.326210         0.003292
BFGS:    3 16:06:31      -17.326211         0.000082
BFGS:    4 16:06:31      -17.326211         0.000000
BFGS:    5 16:06:31      -17.326211         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.550931210640855e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cr', 'Cr', 'Cr', 'Ni']
basis =  [[5.98352873e-51 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 6.19077717e-17 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 6.19077717e-17]
 [0.00000000e+00 6.19077717e-17 6.19077717e-17]]
cellpar =  Cell([[3.5734962853232575, -5.735834029023513e-34, 9.566115292314354e-34], [-1.3476551148762822e-34, 3.5734962853232575, 7.442330883102131e-25], [2.8555848844847453e-34, 7.442330885962518e-25, 3.5734962853232575]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.55093121e-13 -3.55093121e-13 -3.55093121e-13  1.35437249e-28
  1.60872770e-34 -3.73651580e-50]
energy per atom =  -4.331552829607297
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0