element(s):
['Fe', 'Ni']
AFLOW prototype label:
AB3_tI8_139_a_bd
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.6204', '1.9276323']
model name:
Sim_LAMMPS_Table_GrogerVitekDlouhy_2020_CoCrFeMnNi__SM_786004631953_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Fe', 'Ni', 'Ni']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.   0.   0.5 ]
 [0.   0.5  0.25]]
spacegroup =  139
cell =  [[3.6204, 0, 0], [0, 3.6204, 0], [0, 0, 6.9788]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 12:39:14      -14.753739         0.733936
BFGS:    1 12:39:15      -14.771956         0.695642
BFGS:    2 12:39:17      -14.842946         0.499327
BFGS:    3 12:39:19      -14.886107         0.279067
BFGS:    4 12:39:20      -14.899462         0.217605
BFGS:    5 12:39:22      -14.900193         0.196181
BFGS:    6 12:39:24      -14.903955         0.116904
BFGS:    7 12:39:25      -14.909768         0.139861
BFGS:    8 12:39:27      -14.915515         0.122275
BFGS:    9 12:39:28      -14.919244         0.050299
BFGS:   10 12:39:30      -14.919760         0.019585
BFGS:   11 12:39:31      -14.919832         0.000233
BFGS:   12 12:39:33      -14.919832         0.000007
BFGS:   13 12:39:35      -14.919832         0.000000
Minimization converged after 13 steps.
Maximum force component: 4.335011181935007e-32 eV/Angstrom
Maximum stress component: 4.1646082391608696e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.83650099e-49 8.76175456e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [3.64156953e-34 5.00000000e-01 2.50000000e-01]
 [5.00000000e-01 4.38087728e-34 2.50000000e-01]
 [0.00000000e+00 5.00000000e-01 7.50000000e-01]
 [5.00000000e-01 0.00000000e+00 7.50000000e-01]]
cellpar =  Cell([[3.5169758393816557, 1.762650475509398e-37, 5.73684892395505e-32], [2.2795096226387605e-36, 3.516975839381656, 8.15807693472463e-18], [4.8429290062210014e-33, 1.4798615311154556e-17, 7.033957794273277]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-1.04988461e-32  4.56017542e-50  2.16750559e-32]
 [ 1.42242431e-32  4.56017542e-50  2.16750559e-32]
 [ 1.04988461e-32  9.12035084e-50  4.33501118e-32]
 [-1.43935793e-32  9.12035084e-50  4.33501118e-32]]
stress =  [ 1.82082136e-10  1.82082136e-10  4.16460824e-10 -1.95823563e-31
 -1.55704561e-34  6.01180491e-56]
energy per atom =  -1.8649789690318315
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0