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 11:10:58      -17.004310         1.150376
BFGS:    1 11:10:58      -17.055541         0.909704
BFGS:    2 11:10:58      -17.137932         0.350233
BFGS:    3 11:10:58      -17.171616         0.378414
BFGS:    4 11:10:58      -17.222239         0.211976
BFGS:    5 11:10:58      -17.191824         0.844155
BFGS:    6 11:10:58      -17.227022         0.099596
BFGS:    7 11:10:58      -17.227917         0.040604
BFGS:    8 11:10:58      -17.228077         0.004504
BFGS:    9 11:10:58      -17.228079         0.000172
BFGS:   10 11:10:58      -17.228079         0.000001
BFGS:   11 11:10:58      -17.228079         0.000000
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