element(s):
['Fe', 'Ni']
AFLOW prototype label:
A3B_cF16_225_ac_b
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.8545']
model name:
Sim_LAMMPS_Table_GrogerVitekDlouhy_2020_CoCrFeMnNi__SM_786004631953_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Fe', 'Fe', 'Ni']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.25 0.25 0.25]
 [0.5  0.5  0.5 ]]
spacegroup =  225
cell =  [[5.8545, 0, 0], [0, 5.8545, 0], [0, 0, 5.8545]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 11:30:17      -27.618064         0.987268
BFGS:    1 11:30:18      -27.659433         0.968130
BFGS:    2 11:30:18      -27.799383         0.896996
BFGS:    3 11:30:18      -27.928259         0.820402
BFGS:    4 11:30:18      -28.045209         0.737905
BFGS:    5 11:30:19      -28.149312         0.649041
BFGS:    6 11:30:19      -28.239579         0.553331
BFGS:    7 11:30:19      -28.314944         0.450274
BFGS:    8 11:30:19      -28.374267         0.339347
BFGS:    9 11:30:20      -28.416328         0.220008
BFGS:   10 11:30:20      -28.439821         0.091686
BFGS:   11 11:30:20      -28.444466         0.005830
BFGS:   12 11:30:20      -28.444484         0.000141
BFGS:   13 11:30:21      -28.444484         0.000000
BFGS:   14 11:30:21      -28.444484         0.000000
Minimization converged after 14 steps.
Maximum force component: 1.2585129925676309e-30 eV/Angstrom
Maximum stress component: 6.501319757585044e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Ni', 'Ni', 'Ni', 'Ni']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 6.79056237e-35]
 [2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]
 [2.50000000e-01 2.50000000e-01 7.50000000e-01]
 [7.50000000e-01 7.50000000e-01 7.50000000e-01]
 [2.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 2.50000000e-01 2.50000000e-01]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 0.00000000e+00]
 [3.01561548e-50 0.00000000e+00 5.00000000e-01]]
cellpar =  Cell([[5.672372445949804, 1.4261217988921282e-32, 1.0791792361991425e-32], [1.9579781379405646e-32, 5.672372445949804, -1.591812433611043e-18], [-1.0003293009981595e-33, -1.5918124336110335e-18, 5.672372445949804]])
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]
 [ 3.37934044e-31 -1.25851299e-30 -4.36983678e-31]
 [ 3.02975350e-31  2.91322452e-32  7.69091273e-31]
 [ 3.14628248e-31 -9.90496337e-31 -4.31157229e-31]
 [ 2.21405064e-31 -1.48574451e-31  4.16937816e-50]
 [ 3.37934044e-31 -6.29256496e-31 -8.73967356e-31]
 [ 2.73843105e-31  3.43760493e-31  5.82644904e-31]
 [ 1.74793471e-31  5.94297802e-31  3.02975350e-31]
 [ 3.43760493e-31 -7.34132579e-31 -6.40909394e-32]
 [ 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]]
stress =  [-6.50131976e-13 -6.50131976e-13 -6.50131976e-13 -4.34964988e-29
 -1.12929183e-33 -2.17646465e-50]
energy per atom =  -1.7777802779051328
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0