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_BonnyCastinTerentyev_2013_FeNiCr__MO_763197941039_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 03:46:17      -15.951960        0.5147
BFGS:    1 03:46:17      -15.962727        0.4617
BFGS:    2 03:46:17      -16.006344        0.1286
BFGS:    3 03:46:17      -16.010448        0.0144
BFGS:    4 03:46:17      -16.010503        0.0006
BFGS:    5 03:46:17      -16.010503        0.0000
BFGS:    6 03:46:17      -16.010503        0.0000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 4.217200588281047e-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([[3.6577201680232663, 6.93026352732046e-33, 2.1364991729692405e-33], [5.9623730686971056e-33, 3.6577201680232663, 4.4783768545006824e-18], [-1.8473096693490363e-33, 4.478376854500683e-18, 3.6577201680232663]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-4.21720059e-11 -4.21720059e-11 -4.21720059e-11 -3.61341148e-29
 -1.21947196e-59  4.37425354e-59]
energy per atom =  -4.002625794294566
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0