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_BonnyTerentyevPasianot_2011_FeNiCr__MO_677715648236_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 10:31:09      -15.310287         0.064471
BFGS:    1 10:31:10      -15.310458         0.058993
BFGS:    2 10:31:15      -15.311326         0.000967
BFGS:    3 10:31:15      -15.311326         0.000014
BFGS:    4 10:31:15      -15.311326         0.000000
Minimization converged after 4 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.939753885856157e-10 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([[3.5962790182198363, 2.1916924187851192e-39, 3.363507592990815e-34], [-4.569892328000238e-33, 3.5962790182198363, -5.761487770395873e-22], [-8.219076455440353e-33, -5.76148777029305e-22, 3.5962790182198363]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-2.93975389e-10 -2.93975389e-10 -2.93975389e-10  1.17611489e-26
 -5.95653528e-35  2.19170067e-52]
energy per atom =  -3.8278314542659806
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0