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_ZhouFosterSills_2018_FeNiCr__MO_036303866285_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 11:10:51      -17.417230         0.157278
BFGS:    1 11:10:51      -17.418220         0.136412
BFGS:    2 11:10:51      -17.421159         0.004192
BFGS:    3 11:10:51      -17.421162         0.000103
BFGS:    4 11:10:51      -17.421162         0.000000
BFGS:    5 11:10:51      -17.421162         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.0578375306258151e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Ni', 'Ni', 'Ni']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [7.70099263e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 6.77386475e-36 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 3.38693238e-36]]
cellpar =  Cell([[3.553971799712164, 1.8498056860330336e-32, -1.3195075546182764e-32], [2.6590616282973635e-32, 3.553971799712164, 1.2616460504696469e-19], [-1.1379330080686463e-32, 1.261646050469612e-19, 3.553971799712164]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.05783753e-13 -1.05783753e-13 -1.05783753e-13 -2.06215671e-30
 -1.62645201e-34 -1.46378793e-50]
energy per atom =  -4.355290478602218
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0