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_001
==== 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 15:52:54      -14.753739         0.733936
BFGS:    1 15:52:55      -14.771956         0.695642
BFGS:    2 15:52:55      -14.842946         0.499327
BFGS:    3 15:52:56      -14.886107         0.279067
BFGS:    4 15:52:56      -14.899462         0.217605
BFGS:    5 15:52:57      -14.900193         0.196181
BFGS:    6 15:52:57      -14.903955         0.116904
BFGS:    7 15:52:58      -14.909768         0.139861
BFGS:    8 15:52:58      -14.915515         0.122275
BFGS:    9 15:52:59      -14.919244         0.050299
BFGS:   10 15:52:59      -14.919760         0.019585
BFGS:   11 15:53:00      -14.919832         0.000233
BFGS:   12 15:53:00      -14.919832         0.000007
BFGS:   13 15:53:01      -14.919832         0.000000
Minimization converged after 13 steps.
Maximum force component: 3.1699769267899728e-31 eV/Angstrom
Maximum stress component: 4.164600083749694e-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]
 [1.94550033e-49 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [9.01648158e-35 5.00000000e-01 2.50000000e-01]
 [5.00000000e-01 0.00000000e+00 2.50000000e-01]
 [0.00000000e+00 5.00000000e-01 7.50000000e-01]
 [5.00000000e-01 0.00000000e+00 7.50000000e-01]]
cellpar =  Cell([[3.5169758393816566, -2.2139710744787178e-37, -7.221923693380698e-33], [1.943587420484122e-36, 3.5169758393816553, -4.7076115621865855e-18], [-1.1442315227679512e-32, -9.522426483200312e-18, 7.033957794273275]])
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]
 [-1.08375185e-32 -1.08375185e-32 -1.30050335e-31]
 [-3.25125556e-32  2.16750371e-32  1.30050335e-31]
 [-2.16750371e-32  1.62562778e-32 -1.09729971e-31]
 [-2.16750371e-32 -2.16750371e-32 -3.16997693e-31]]
stress =  [ 1.82081580e-10  1.82081580e-10  4.16460008e-10  1.01075670e-26
 -1.24563652e-34 -4.71640128e-62]
energy per atom =  -1.8649789690318301
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0