element(s):
['Fe', '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:
['3.7004']
model name:
EAM_Dynamo_ZhouFosterSills_2018_FeNiCr__MO_036303866285_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Fe', 'Ni']
representative atom coordinates =  [[0.  0.5 0.5]
 [0.  0.  0. ]]
spacegroup =  221
cell =  [[3.7004, 0, 0], [0, 3.7004, 0], [0, 0, 3.7004]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 09:29:05      -17.017631         0.580599
BFGS:    1 09:29:05      -17.031296         0.517554
BFGS:    2 09:29:05      -17.079306         0.116632
BFGS:    3 09:29:05      -17.081716         0.006701
BFGS:    4 09:29:05      -17.081723         0.000078
BFGS:    5 09:29:05      -17.081723         0.000000
BFGS:    6 09:29:05      -17.081723         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.45635827041935e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Ni']
basis =  [[0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 2.12005328e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [0.00000000e+00 0.00000000e+00 0.00000000e+00]]
cellpar =  Cell([[3.6337387606617724, -1.266924191814636e-32, -7.743146112689938e-35], [-4.5358650805223135e-33, 3.6337387606617724, 1.0287332070061958e-17], [6.310167743550196e-34, 1.0287332070061951e-17, 3.6337387606617724]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-2.45635827e-14 -2.45635827e-14 -2.45635827e-14  1.30735036e-31
 -1.21596063e-63 -1.00546106e-62]
energy per atom =  -4.270430844611205
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0