element(s):
['Cr', 'Ni']
AFLOW prototype label:
AB3_cF16_225_a_bc
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.7577']
model name:
MEAM_LAMMPS_ChoiJoSohn_2018_CoNiCrFeMn__MO_115454747503_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cr', 'Ni', 'Ni']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.5  0.5  0.5 ]
 [0.25 0.25 0.25]]
spacegroup =  225
cell =  [[5.7577, 0, 0], [0, 5.7577, 0], [0, 0, 5.7577]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:39:07      -67.367468         0.833880
BFGS:    1 16:39:08      -67.396868         0.811387
BFGS:    2 16:39:08      -67.511360         0.714503
BFGS:    3 16:39:08      -67.611014         0.613518
BFGS:    4 16:39:08      -67.695204         0.508301
BFGS:    5 16:39:08      -67.763286         0.398717
BFGS:    6 16:39:08      -67.814594         0.284625
BFGS:    7 16:39:08      -67.848441         0.165883
BFGS:    8 16:39:08      -67.864119         0.042341
BFGS:    9 16:39:08      -67.865180         0.001131
BFGS:   10 16:39:08      -67.865181         0.000007
BFGS:   11 16:39:08      -67.865181         0.000000
Minimization converged after 11 steps.
Maximum force component: 1.1663782599188715e-30 eV/Angstrom
Maximum stress component: 1.1371141282557009e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cr', 'Cr', 'Cr', 'Cr', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [6.08585870e-50 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 0.00000000e+00]
 [6.08585870e-50 5.00000000e-01 0.00000000e+00]
 [2.43434348e-49 2.74082710e-34 5.00000000e-01]
 [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]]
cellpar =  Cell([[5.62145622664611, 1.776560748358628e-32, 2.0946166005903325e-32], [-3.648755732986795e-33, 5.62145622664611, 1.2222042540229734e-17], [-2.116981989217138e-32, 1.2222042540229742e-17, 5.62145622664611]])
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]
 [ 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]
 [ 2.36740142e-31  6.23608179e-31 -2.75715653e-31]
 [-6.16390491e-31 -3.88311574e-31 -9.27111928e-31]
 [ 2.34574836e-31  4.04190486e-31  5.65866681e-31]
 [-3.92642187e-31 -1.10430615e-31  1.16637826e-30]
 [-1.50127895e-31  5.65866681e-31  6.00511579e-31]
 [ 1.12595921e-31 -4.94411577e-31  1.05666941e-30]
 [ 1.44353745e-31 -4.62834195e-32 -9.58508867e-31]
 [ 2.30965992e-31  7.79510223e-31 -8.33642878e-31]]
stress =  [ 1.13711413e-10  1.13711413e-10  1.13711413e-10  8.05152530e-28
  0.00000000e+00 -1.09951449e-59]
energy per atom =  -4.241573822161494
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0