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_001
==== 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 10:24:38      -27.618064         0.987268
BFGS:    1 10:24:39      -27.659433         0.968130
BFGS:    2 10:24:40      -27.799383         0.896996
BFGS:    3 10:24:41      -27.928259         0.820402
BFGS:    4 10:24:41      -28.045209         0.737905
BFGS:    5 10:24:42      -28.149312         0.649041
BFGS:    6 10:24:43      -28.239579         0.553331
BFGS:    7 10:24:43      -28.314944         0.450274
BFGS:    8 10:24:44      -28.374267         0.339347
BFGS:    9 10:24:45      -28.416328         0.220008
BFGS:   10 10:24:45      -28.439821         0.091686
BFGS:   11 10:24:46      -28.444466         0.005830
BFGS:   12 10:24:47      -28.444484         0.000141
BFGS:   13 10:24:47      -28.444484         0.000000
BFGS:   14 10:24:48      -28.444484         0.000000
Minimization converged after 14 steps.
Maximum force component: 3.3210759526090264e-31 eV/Angstrom
Maximum stress component: 6.494916088574096e-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.   0.   0.  ]
 [0.   0.5  0.5 ]
 [0.5  0.   0.5 ]
 [0.5  0.5  0.  ]
 [0.25 0.25 0.25]
 [0.75 0.75 0.25]
 [0.75 0.25 0.75]
 [0.25 0.75 0.75]
 [0.25 0.25 0.75]
 [0.75 0.75 0.75]
 [0.25 0.75 0.25]
 [0.75 0.25 0.25]
 [0.5  0.5  0.5 ]
 [0.5  0.   0.  ]
 [0.   0.5  0.  ]
 [0.   0.   0.5 ]]
cellpar =  Cell([[5.672372445949805, -3.107524841934121e-33, 1.526995401641594e-32], [-1.6349457082731747e-32, 5.672372445949805, -2.2181944761691726e-17], [-3.746468996304482e-33, -2.2181944761691732e-17, 5.672372445949805]])
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]
 [-8.73967356e-32  1.04876083e-31 -9.03099601e-32]
 [ 1.57041009e-32 -1.19442205e-31 -1.15072369e-31]
 [-2.21678178e-32  1.80619920e-31  2.09752165e-31]
 [-2.91322452e-32  2.91322452e-32 -1.63140573e-31]
 [-2.15578614e-31  3.08801799e-31  8.15702866e-32]
 [ 1.45114996e-31 -3.32107595e-31 -6.11777149e-32]
 [ 1.16528981e-32 -2.79669554e-31 -1.77797734e-31]
 [-9.72743875e-32  1.22355430e-31 -3.96869942e-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 =  [-6.49491609e-13 -6.49491609e-13 -6.49491609e-13  9.90706308e-29
 -3.19234438e-35  1.64896180e-51]
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