element(s):
['Fe', '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:
['5.6652']
model name:
MEAM_LAMMPS_WuLeeSu_2017_NiFe__MO_321233176498_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Fe', 'Ni', 'Ni']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.5  0.5  0.5 ]
 [0.25 0.25 0.25]]
spacegroup =  225
cell =  [[5.6652, 0, 0], [0, 5.6652, 0], [0, 0, 5.6652]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:03:11      -69.331215         0.089695
BFGS:    1 16:03:11      -69.331554         0.086818
BFGS:    2 16:03:11      -69.337767         0.045649
BFGS:    3 16:03:11      -69.341612         0.000340
BFGS:    4 16:03:11      -69.341612         0.000279
BFGS:    5 16:03:11      -69.341612         0.000000
BFGS:    6 16:03:11      -69.341612         0.000000
Minimization converged after 6 steps.
Maximum force component: 2.960477656921366e-31 eV/Angstrom
Maximum stress component: 4.169034356071879e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', 'Fe', 'Fe', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.36692263e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 6.83461316e-35]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 6.83461316e-35]
 [0.00000000e+00 6.83461316e-35 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([[5.63581258947584, 2.4782911164330054e-32, -2.4373014577463808e-32], [4.378097738325523e-33, 5.63581258947584, 5.727455234580773e-18], [-9.84083844086608e-34, 5.727455234580743e-18, 5.63581258947584]])
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]
 [-8.50244118e-33  2.46028085e-32  1.67877988e-31]
 [-2.17083605e-33 -2.74972566e-32  2.54711429e-31]
 [-2.08038454e-33  4.74870385e-33 -1.70636758e-31]
 [ 1.23014043e-32 -5.78889612e-33 -1.19576886e-31]
 [-7.19089440e-32 -9.51097542e-32 -2.96047766e-31]
 [ 6.98285595e-32  3.76278248e-32 -2.67238962e-31]
 [ 3.21102832e-32 -8.68334418e-33  1.65797603e-31]
 [-8.86424719e-32 -1.13968892e-31  1.62269994e-31]]
stress =  [ 4.16903436e-11  4.16903436e-11  4.16903436e-11 -7.42501686e-27
  3.23389659e-35 -1.04623376e-50]
energy per atom =  -4.333850726425644
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0