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_MendelevBorovikov_2020_FeNiCr__MO_922363340570_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 02:58:36      -16.490396        1.0591
BFGS:    1 02:58:36      -16.535729        0.9446
BFGS:    2 02:58:36      -16.665547        0.8556
BFGS:    3 02:58:36      -16.796915        0.8582
BFGS:    4 02:58:36      -16.901775        0.4488
BFGS:    5 02:58:36      -16.909677        0.3839
BFGS:    6 02:58:36      -16.921756        0.0294
BFGS:    7 02:58:36      -16.921831        0.0012
BFGS:    8 02:58:36      -16.921831        0.0000
BFGS:    9 02:58:36      -16.921831        0.0000
Minimization converged after 9 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 6.431230618778908e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cr', 'Cr', 'Cr', 'Ni']
basis =  [[0.00000000e+00 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([[3.7604656430930357, 1.2982150984625028e-32, 1.992710894273552e-33], [1.3626117064468384e-32, 3.7604656430930357, 6.316250988272506e-18], [-4.8922386811336996e-33, 6.3162509882725034e-18, 3.7604656430930357]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-6.43123062e-11 -6.43123062e-11 -6.43123062e-11 -3.48837791e-27
 -1.45273352e-34 -6.28026621e-51]
energy per atom =  -4.230457788112833
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0