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_001
==== 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 15:59:37      -63.971364         1.720162
BFGS:    1 15:59:38      -64.097038         1.689152
BFGS:    2 15:59:38      -64.345545         1.623757
BFGS:    3 15:59:38      -64.584007         1.555195
BFGS:    4 15:59:38      -64.811940         1.483360
BFGS:    5 15:59:38      -65.028846         1.408143
BFGS:    6 15:59:38      -65.234209         1.329432
BFGS:    7 15:59:38      -65.427495         1.247112
BFGS:    8 15:59:38      -65.608156         1.161063
BFGS:    9 15:59:38      -65.775622         1.071163
BFGS:   10 15:59:38      -65.929306         0.977287
BFGS:   11 15:59:38      -66.068602         0.879304
BFGS:   12 15:59:38      -66.192885         0.777081
BFGS:   13 15:59:39      -66.301508         0.670480
BFGS:   14 15:59:39      -66.393803         0.559360
BFGS:   15 15:59:39      -66.469082         0.443575
BFGS:   16 15:59:39      -66.526635         0.322975
BFGS:   17 15:59:39      -66.565727         0.197406
BFGS:   18 15:59:39      -66.585600         0.066710
BFGS:   19 15:59:39      -66.588084         0.002067
BFGS:   20 15:59:39      -66.588087         0.000021
BFGS:   21 15:59:39      -66.588087         0.000000
Minimization converged after 21 steps.
Maximum force component: 6.875381782522593e-30 eV/Angstrom
Maximum stress component: 5.461319260590496e-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]
 [0.00000000e+00 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 5.31409989e-68 2.98231802e-50]
 [0.00000000e+00 5.00000000e-01 0.00000000e+00]
 [2.42313339e-50 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([[5.735704246564852, -1.1993570443220824e-32, 1.145077189996007e-33], [-1.870443476790986e-32, 5.735704246564852, -1.02202733223708e-17], [1.5254737782865652e-34, -1.0220273322370795e-17, 5.735704246564852]])
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]
 [-9.42640176e-31  2.00311037e-30  5.10793145e-30]
 [ 6.30390618e-31 -3.16373609e-30  1.17830022e-30]
 [-8.36593156e-31  2.78078852e-30 -5.23165298e-30]
 [ 8.01244149e-31 -2.98109956e-30 -5.37304900e-30]
 [ 3.29924062e-31  3.13427858e-30 -2.96931655e-30]
 [ 7.60003642e-31 -1.70853532e-30 -3.77056070e-30]
 [ 6.12716114e-31 -1.24899823e-30  6.87538178e-30]
 [ 8.83725165e-33  2.94575055e-30  5.58514304e-30]]
stress =  [ 5.46131926e-10  5.46131926e-10  5.46131926e-10 -1.60029306e-26
  8.52426974e-60  2.85420023e-59]
energy per atom =  -4.161755414928011
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0