element(s):
['Fe', 'Ni']
AFLOW prototype label:
AB2_cF24_227_a_d
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.6153']
model name:
Sim_LAMMPS_Table_GrogerVitekDlouhy_2020_CoCrFeMnNi__SM_786004631953_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Fe', 'Ni']
representative atom coordinates =  [[0.    0.    0.   ]
 [0.625 0.625 0.625]]
spacegroup =  227
cell =  [[6.6153, 0, 0], [0, 6.6153, 0], [0, 0, 6.6153]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 14:02:57      -37.427392         0.193449
BFGS:    1 14:02:58      -37.428977         0.188754
BFGS:    2 14:02:59      -37.451018         0.105740
BFGS:    3 14:03:00      -37.460877         0.026288
BFGS:    4 14:03:01      -37.461547         0.000760
BFGS:    5 14:03:02      -37.461547         0.000006
BFGS:    6 14:03:04      -37.461547         0.000000
Minimization converged after 6 steps.
Maximum force component: 7.102064585345209e-31 eV/Angstrom
Maximum stress component: 1.0203688762799483e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni']
basis =  [[0.00000000e+00 2.69636891e-33 6.07204882e-34]
 [6.41942822e-35 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 7.53185185e-34]
 [5.00000000e-01 6.95247863e-34 5.00000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]
 [6.25000000e-01 6.25000000e-01 6.25000000e-01]
 [3.75000000e-01 8.75000000e-01 1.25000000e-01]
 [8.75000000e-01 1.25000000e-01 3.75000000e-01]
 [1.25000000e-01 3.75000000e-01 8.75000000e-01]
 [8.75000000e-01 3.75000000e-01 1.25000000e-01]
 [3.75000000e-01 1.25000000e-01 8.75000000e-01]
 [1.25000000e-01 8.75000000e-01 3.75000000e-01]
 [6.25000000e-01 1.25000000e-01 1.25000000e-01]
 [3.75000000e-01 3.75000000e-01 6.25000000e-01]
 [8.75000000e-01 6.25000000e-01 8.75000000e-01]
 [8.75000000e-01 8.75000000e-01 6.25000000e-01]
 [3.75000000e-01 6.25000000e-01 3.75000000e-01]
 [1.25000000e-01 6.25000000e-01 1.25000000e-01]
 [6.25000000e-01 3.75000000e-01 3.75000000e-01]
 [6.25000000e-01 8.75000000e-01 8.75000000e-01]
 [1.25000000e-01 1.25000000e-01 6.25000000e-01]]
cellpar =  Cell([[6.648322290072004, -4.404007582351818e-33, -3.4015066555970546e-33], [3.785559780238731e-33, 6.648322290072004, 2.1180586686494822e-18], [-1.9151794827227623e-32, 2.1180586686494815e-18, 6.648322290072004]])
forces =  [[ 1.96331112e-32 -2.51552678e-51 -7.89592517e-33]
 [-3.41445413e-33 -2.32609687e-32  6.82890826e-33]
 [ 1.19505894e-32 -1.53650436e-32 -1.21639928e-32]
 [ 1.45114300e-32 -4.26806766e-33  8.53613532e-34]
 [ 5.12168119e-33  1.45114300e-32  7.78922348e-33]
 [-2.56084060e-33  1.45114300e-32  1.45114300e-32]
 [ 8.53613532e-33  8.53613532e-34  2.21406010e-32]
 [ 8.10932855e-33 -1.96331112e-32  3.41445413e-33]
 [ 1.63893798e-31  2.73156330e-32 -2.45840697e-31]
 [-2.45840697e-31 -3.82418862e-31 -1.21833081e-49]
 [ 1.63893798e-31 -1.63893798e-31 -1.63893798e-31]
 [-4.91681394e-31 -1.63893798e-31 -5.46312660e-32]
 [-1.09262532e-31 -4.91681394e-31  5.46312660e-32]
 [ 1.09262532e-31 -2.18525064e-31 -2.73156330e-32]
 [ 2.45840697e-31 -5.46312660e-32  1.09262532e-31]
 [ 2.18525064e-31  1.09262532e-31 -2.18525064e-31]
 [ 6.28259559e-31 -1.09262532e-31 -5.46312660e-32]
 [ 5.46312660e-32 -2.18525064e-31  5.46312660e-32]
 [ 5.46312660e-32  1.63893798e-31  1.09262532e-31]
 [ 1.09262532e-31 -2.45840697e-31 -1.63893798e-31]
 [ 1.36578165e-31  2.73156330e-32 -2.18525064e-31]
 [-4.91681394e-31  1.63893798e-31  3.82418862e-31]
 [-2.41917385e-63 -6.55575192e-31  7.10206459e-31]
 [ 2.73156330e-31  1.09262532e-31 -1.09262532e-31]]
stress =  [-1.02036888e-10 -1.02036888e-10 -1.02036888e-10  4.63020058e-26
 -2.32388742e-35  2.65107752e-51]
energy per atom =  -1.5608977975811495
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0