element(s):
['Fe', 'Ni']
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:
['3.5687']
model name:
EAM_Dynamo_BelandTammMu_2017_FeNiCr__MO_715003088863_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Fe', 'Ni']
representative atom coordinates =  [[0.  0.  0. ]
 [0.  0.5 0.5]]
spacegroup =  221
cell =  [[3.5687, 0, 0], [0, 3.5687, 0], [0, 0, 3.5687]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 13:20:07      -18.012961         0.640384
BFGS:    1 13:20:07      -18.029244         0.545933
BFGS:    2 13:20:07      -18.070922         0.001103
BFGS:    3 13:20:07      -18.070922         0.000051
BFGS:    4 13:20:07      -18.070922         0.000000
Minimization converged after 4 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 7.268510668585783e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Ni', 'Ni', 'Ni']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [3.89225434e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[3.5158430367455913, 2.3367150759458805e-33, -1.1188031024447247e-34], [2.1033250912412292e-32, 3.5158430367455913, 1.55107262078182e-20], [6.145820760635328e-33, 1.5510726207813528e-20, 3.5158430367455913]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 7.26851067e-10  7.26851067e-10  7.26851067e-10 -5.75500146e-26
 -9.27836040e-58 -2.05529960e-57]
energy per atom =  -4.517730557327786
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0