element(s):
['Cr', 'Fe']
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:
['6.0773']
model name:
MEAM_LAMMPS_ChoiJoSohn_2018_CoNiCrFeMn__MO_115454747503_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cr', 'Fe', 'Fe']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.5  0.5  0.5 ]
 [0.25 0.25 0.25]]
spacegroup =  225
cell =  [[6.0773, 0, 0], [0, 6.0773, 0], [0, 0, 6.0773]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:35:45      -63.971364         1.720162
BFGS:    1 16:35:45      -64.097038         1.689152
BFGS:    2 16:35:45      -64.345545         1.623757
BFGS:    3 16:35:45      -64.584007         1.555195
BFGS:    4 16:35:45      -64.811940         1.483360
BFGS:    5 16:35:45      -65.028846         1.408143
BFGS:    6 16:35:45      -65.234209         1.329432
BFGS:    7 16:35:46      -65.427495         1.247112
BFGS:    8 16:35:46      -65.608156         1.161063
BFGS:    9 16:35:46      -65.775622         1.071163
BFGS:   10 16:35:46      -65.929306         0.977287
BFGS:   11 16:35:46      -66.068602         0.879304
BFGS:   12 16:35:46      -66.192885         0.777081
BFGS:   13 16:35:46      -66.301508         0.670480
BFGS:   14 16:35:46      -66.393803         0.559360
BFGS:   15 16:35:46      -66.469082         0.443575
BFGS:   16 16:35:46      -66.526635         0.322975
BFGS:   17 16:35:46      -66.565727         0.197406
BFGS:   18 16:35:46      -66.585600         0.066710
BFGS:   19 16:35:47      -66.588084         0.002067
BFGS:   20 16:35:47      -66.588087         0.000021
BFGS:   21 16:35:47      -66.588087         0.000000
Minimization converged after 21 steps.
Maximum force component: 8.7194216265068e-31 eV/Angstrom
Maximum stress component: 5.461312135438658e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cr', 'Cr', 'Cr', 'Cr', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [9.54341767e-49 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 2.38585442e-49 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 0.00000000e+00]
 [2.77412640e-66 0.00000000e+00 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([[5.735704246564851, 2.456652328728654e-32, -1.9796701184324726e-32], [5.923375601077419e-32, 5.735704246564851, -2.4455842418878953e-17], [-5.955876699551325e-32, -2.4455842418878928e-17, 5.735704246564851]])
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]
 [-2.82792053e-31  5.53801103e-31 -5.74421357e-31]
 [-8.83725165e-32 -4.97831843e-31  6.48065121e-32]
 [ 2.38605795e-31  8.71942163e-31  3.65273068e-31]
 [ 5.89150110e-32 -7.65895143e-31 -4.71320088e-32]
 [ 4.12405077e-31  6.36282119e-31  4.65428587e-31]
 [ 1.67907781e-31 -4.35971081e-31  8.83725165e-32]
 [-6.48065121e-32 -5.86204359e-31 -7.98298399e-31]
 [ 4.30079580e-31  6.36282119e-31  2.01783913e-31]]
stress =  [ 5.46131214e-10  5.46131214e-10  5.46131214e-10 -2.71470069e-26
 -4.95654951e-34  7.85353977e-50]
energy per atom =  -4.1617554149280105
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0