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:
MEAM_LAMMPS_WuLeeSu_2017_NiCrFe__MO_912636107108_002
==== 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 03:13:15      -16.455584        0.2397
BFGS:    1 03:13:15      -16.457852        0.2020
BFGS:    2 03:13:15      -16.463534        0.0063
BFGS:    3 03:13:15      -16.463539        0.0002
BFGS:    4 03:13:15      -16.463539        0.0000
BFGS:    5 03:13:15      -16.463539        0.0000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.399485660079136e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cr', 'Cr', 'Cr', 'Ni']
basis =  [[7.58828580e-49 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([[3.6067580142298503, -1.3626740275918054e-32, 3.1924220511149056e-33], [-1.1375067846157275e-32, 3.6067580142298503, -2.1063519484945502e-19], [-1.620876597714666e-32, -2.106351948494243e-19, 3.6067580142298503]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.39948566e-13 -3.39948566e-13 -3.39948566e-13  2.35532239e-29
 -2.36878943e-34  3.24783601e-50]
energy per atom =  -4.115884832461208
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0