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 20:21:27      -97.152669        0.6819
BFGS:    1 20:21:27      -97.172425        0.6700
BFGS:    2 20:21:27      -97.268259        0.6075
BFGS:    3 20:21:27      -97.354605        0.5435
BFGS:    4 20:21:27      -97.431210        0.4777
BFGS:    5 20:21:27      -97.497818        0.4101
BFGS:    6 20:21:27      -97.554165        0.3409
BFGS:    7 20:21:27      -97.599985        0.2698
BFGS:    8 20:21:27      -97.635005        0.1968
BFGS:    9 20:21:27      -97.658946        0.1220
BFGS:   10 20:21:27      -97.671524        0.0453
BFGS:   11 20:21:27      -97.673498        0.0009
BFGS:   12 20:21:27      -97.673499        0.0000
BFGS:   13 20:21:27      -97.673499        0.0000
Minimization converged after 13 steps.
Maximum force component: 1.3316731179264223e-31 eV/Angstrom
Maximum stress component: 7.709055743837387e-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([[6.648502064235232, -6.559994729285789e-33, -4.8776287656897475e-33], [-4.768494052700177e-33, 6.648502064235232, -6.324585399566271e-18], [5.4340264713950374e-33, -6.324585399566283e-18, 6.648502064235232]])
forces =  [[ 1.02436394e-31 -5.46327433e-32  2.73163716e-32]
 [ 6.82909291e-33 -3.41454646e-32  7.51200220e-32]
 [-6.82909291e-33 -3.41454646e-32  7.51200220e-32]
 [ 1.09265487e-31 -9.56073008e-32  1.36581858e-32]
 [-5.12181968e-32  1.33167312e-31 -8.87782079e-32]
 [-4.78036504e-32  4.78036504e-32  6.82909291e-32]
 [ 2.73163716e-32  6.82909291e-33 -6.82909291e-32]
 [ 7.17054756e-32  6.82909291e-33 -1.62190957e-32]
 [-8.19491149e-32 -6.82909291e-32 -6.82909291e-33]
 [-5.12181968e-32  5.46327433e-32  1.22923672e-31]
 [ 5.97545630e-32 -1.09265487e-31  1.03942045e-49]
 [-6.14618362e-32 -6.82909291e-32  2.39018252e-32]
 [ 1.02436394e-31  1.36581858e-32 -1.36581858e-32]
 [ 3.41454646e-32  8.19491149e-32 -1.02436394e-31]
 [-1.05850940e-31 -3.41454646e-32  6.82909291e-32]
 [ 8.87782079e-32 -1.36581858e-32 -2.73163716e-32]
 [ 3.41454646e-33 -1.19509126e-32  9.20326975e-33]
 [ 1.87800055e-32  1.23777309e-32  1.02436394e-32]
 [ 1.31246629e-32  2.45420527e-32  1.02436394e-32]
 [ 4.64164909e-33 -9.74456673e-51  1.02436394e-32]
 [-8.53636614e-33 -2.56090984e-32 -1.70727323e-33]
 [ 8.53636614e-33  1.19509126e-32 -1.19509126e-32]
 [-1.10972760e-32  6.82909291e-33 -9.39000275e-33]
 [ 1.19509126e-32 -1.62190957e-32 -1.70727323e-33]]
stress =  [7.70905574e-11 7.70905574e-11 7.70905574e-11 1.02620786e-27
 5.80940436e-36 8.60584911e-53]
energy per atom =  -4.069729125479591
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0