element(s):
['Cr', 'Fe']
AFLOW prototype label:
AB3_cP4_221_a_c
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.8057']
model name:
EAM_Dynamo_BonnyTerentyevPasianot_2011_FeNiCr__MO_677715648236_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cr', 'Fe']
representative atom coordinates =  [[0.  0.  0. ]
 [0.  0.5 0.5]]
spacegroup =  221
cell =  [[3.8057, 0, 0], [0, 3.8057, 0], [0, 0, 3.8057]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:43:48      -15.481996         1.853588
BFGS:    1 16:43:49      -15.630488         1.869758
BFGS:    2 16:43:49      -15.898281         1.650524
BFGS:    3 16:43:49      -16.114570         1.210872
BFGS:    4 16:43:49      -16.258586         0.706565
BFGS:    5 16:43:49      -16.327200         0.211936
BFGS:    6 16:43:49      -16.334241         0.008294
BFGS:    7 16:43:49      -16.334252         0.000135
BFGS:    8 16:43:49      -16.334252         0.000000
BFGS:    9 16:43:49      -16.334252         0.000000
Minimization converged after 9 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 5.846184725056165e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cr', 'Fe', 'Fe', 'Fe']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.72681010e-33 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 8.63405049e-34]]
cellpar =  Cell([[3.5689945474710023, -1.590691617561997e-32, 4.4634830441112964e-32], [5.868926290553237e-34, 3.5689945474710023, 3.065203378817582e-17], [-4.265134259636681e-34, 3.0652033788175826e-17, 3.5689945474710023]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 5.84618473e-14  5.84618473e-14  5.84618473e-14 -3.61228854e-30
 -9.67673150e-34  7.82394899e-51]
energy per atom =  -4.083563047552832
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0