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_MendelevBorovikov_2020_FeNiCr__MO_922363340570_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 08:59:56      -17.004310        1.1504
BFGS:    1 08:59:56      -17.055541        0.9097
BFGS:    2 08:59:56      -17.137932        0.3502
BFGS:    3 08:59:56      -17.171616        0.3784
BFGS:    4 08:59:56      -17.222239        0.2120
BFGS:    5 08:59:56      -17.191824        0.8442
BFGS:    6 08:59:56      -17.227022        0.0996
BFGS:    7 08:59:56      -17.227917        0.0406
BFGS:    8 08:59:56      -17.228077        0.0045
BFGS:    9 08:59:56      -17.228079        0.0002
BFGS:   10 08:59:56      -17.228079        0.0000
BFGS:   11 08:59:56      -17.228079        0.0000
Minimization converged after 11 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.0142167862561921e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Ni', 'Ni', 'Ni']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [1.69965261e-48 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 2.25133967e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[3.4218380640603967, -1.4198623379166578e-32, -2.5058312981793076e-32], [-5.285358674426692e-33, 3.4218380640603967, 8.360158602298578e-18], [-1.0544719851698548e-32, 8.360158602298558e-18, 3.4218380640603967]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.01421679e-11 -1.01421679e-11 -1.01421679e-11 -2.76557737e-27
  2.63173140e-34  3.33385699e-50]
energy per atom =  -4.307019690075267
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0