element(s):
['Fe', 'Ni']
AFLOW prototype label:
A2B_cF24_227_c_b
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.7867']
model name:
MEAM_LAMMPS_WuLeeSu_2017_NiCrFe__MO_912636107108_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Fe', 'Ni']
representative atom coordinates =  [[0.125 0.125 0.125]
 [0.5   0.5   0.5  ]]
spacegroup =  227
cell =  [[6.7867, 0, 0], [0, 6.7867, 0], [0, 0, 6.7867]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:17:19      -97.152669         0.681946
BFGS:    1 16:17:19      -97.172425         0.669973
BFGS:    2 16:17:20      -97.268259         0.607544
BFGS:    3 16:17:20      -97.354605         0.543452
BFGS:    4 16:17:20      -97.431210         0.477664
BFGS:    5 16:17:20      -97.497818         0.410144
BFGS:    6 16:17:20      -97.554165         0.340859
BFGS:    7 16:17:20      -97.599985         0.269772
BFGS:    8 16:17:20      -97.635005         0.196848
BFGS:    9 16:17:20      -97.658946         0.122049
BFGS:   10 16:17:20      -97.671524         0.045338
BFGS:   11 16:17:20      -97.673498         0.000915
BFGS:   12 16:17:20      -97.673499         0.000007
BFGS:   13 16:17:20      -97.673499         0.000000
Minimization converged after 13 steps.
Maximum force component: 8.60465706967842e-31 eV/Angstrom
Maximum stress component: 7.70900532281822e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Fe', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni']
basis =  [[1.25000000e-01 1.25000000e-01 1.25000000e-01]
 [8.75000000e-01 3.75000000e-01 6.25000000e-01]
 [3.75000000e-01 6.25000000e-01 8.75000000e-01]
 [6.25000000e-01 8.75000000e-01 3.75000000e-01]
 [3.75000000e-01 8.75000000e-01 6.25000000e-01]
 [8.75000000e-01 6.25000000e-01 3.75000000e-01]
 [6.25000000e-01 3.75000000e-01 8.75000000e-01]
 [1.25000000e-01 6.25000000e-01 6.25000000e-01]
 [8.75000000e-01 8.75000000e-01 1.25000000e-01]
 [3.75000000e-01 1.25000000e-01 3.75000000e-01]
 [3.75000000e-01 3.75000000e-01 1.25000000e-01]
 [8.75000000e-01 1.25000000e-01 8.75000000e-01]
 [6.25000000e-01 1.25000000e-01 6.25000000e-01]
 [1.25000000e-01 8.75000000e-01 8.75000000e-01]
 [1.25000000e-01 3.75000000e-01 3.75000000e-01]
 [6.25000000e-01 6.25000000e-01 1.25000000e-01]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.63588051e-17 6.54352203e-17]
 [6.54352203e-17 1.63588051e-17 5.00000000e-01]
 [6.54352203e-17 5.00000000e-01 6.54352203e-17]
 [2.50000000e-01 7.50000000e-01 2.50000000e-01]
 [7.50000000e-01 7.50000000e-01 7.50000000e-01]
 [7.50000000e-01 2.50000000e-01 2.50000000e-01]
 [2.50000000e-01 2.50000000e-01 7.50000000e-01]]
cellpar =  Cell([[6.648502064235231, -3.372772843551496e-34, 1.822789527114989e-34], [4.6041991695716644e-33, 6.648502064235231, 3.6592600284669245e-18], [1.5525307789678625e-34, 3.659260028466927e-18, 6.648502064235231]])
forces =  [[-2.73163716e-32 -3.08162818e-31  3.00480088e-31]
 [ 1.51947317e-31  3.07309181e-31  4.60963772e-31]
 [-6.14618362e-32 -4.02916482e-31  2.18530973e-31]
 [-1.36581858e-32  3.41454646e-33  8.19491149e-32]
 [-5.46327433e-32  8.19491149e-32 -3.55112831e-31]
 [ 1.57922774e-31  7.51200220e-32 -3.68771017e-31]
 [ 6.82909291e-32  6.76557932e-50  1.22923672e-31]
 [-8.19491149e-32 -1.91214602e-31  1.91214602e-31]
 [ 2.69749170e-31 -3.65356471e-31 -3.27796460e-31]
 [ 2.34750069e-31  5.63400165e-32 -5.12181968e-31]
 [ 4.78036504e-32  1.02436394e-31  5.63798277e-50]
 [-2.90236449e-32 -4.89987416e-31  3.44442374e-31]
 [-1.36581858e-32 -1.94629148e-31  2.08287334e-31]
 [-1.63898230e-31  7.92174778e-31  2.59505531e-31]
 [ 1.70727323e-31 -8.60465707e-31  2.45847345e-31]
 [ 8.19491149e-32 -2.90236449e-31  1.77556416e-31]
 [-5.12181968e-33 -3.58527378e-32  6.82909291e-33]
 [ 2.56090984e-32  5.46327433e-32 -5.12181968e-33]
 [-3.24381913e-32 -1.05850940e-31  1.19509126e-32]
 [ 4.95109236e-32  5.46327433e-32  1.02436394e-32]
 [-3.07309181e-32  3.07309181e-32  1.70727323e-32]
 [-1.02436394e-32 -1.10972760e-32 -2.98772815e-32]
 [-2.39018252e-32  4.09745575e-32  1.70727323e-32]
 [ 1.02436394e-32 -2.39018252e-32 -4.60963772e-32]]
stress =  [7.70900532e-11 7.70900532e-11 7.70900532e-11 2.83308906e-27
 2.32376174e-35 8.59725634e-52]
energy per atom =  -4.069729125479588
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0