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_FarkasCaro_2020_FeNiCrCoAl__MO_820335782779_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 15:45:21      -16.988918        0.6098
BFGS:    1 15:45:21      -17.003795        0.5285
BFGS:    2 15:45:22      -17.048123        0.0689
BFGS:    3 15:45:22      -17.048955        0.0053
BFGS:    4 15:45:22      -17.048960        0.0001
BFGS:    5 15:45:22      -17.048960        0.0000
BFGS:    6 15:45:22      -17.048960        0.0000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.1467611734651828e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cr', 'Cr', 'Cr', 'Ni']
basis =  [[1.94010152e-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([[3.5267626890371346, -1.1553780263789246e-33, -1.5543438758906922e-32], [5.120513692400918e-33, 3.5267626890371346, 1.2728879590168645e-18], [-6.252314856843641e-34, 1.2728879590168302e-18, 3.5267626890371346]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 2.14676117e-13  2.14676117e-13  2.14676117e-13  3.98783587e-29
 -8.25822552e-35 -5.96059971e-51]
energy per atom =  -4.262239937437461
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0