element(s):
['Cr', 'Ni']
AFLOW prototype label:
A3B_cF16_225_ac_b
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.705']
model name:
MEAM_LAMMPS_WuLeeSu_2017_NiCrFe__MO_912636107108_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Cr', 'Cr', 'Ni']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.25 0.25 0.25]
 [0.5  0.5  0.5 ]]
spacegroup =  225
cell =  [[5.705, 0, 0], [0, 5.705, 0], [0, 0, 5.705]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 16:07:25      -65.895735        0.0191
BFGS:    1 16:07:25      -65.895751        0.0184
BFGS:    2 16:07:25      -65.895941        0.0001
BFGS:    3 16:07:25      -65.895941        0.0000
BFGS:    4 16:07:26      -65.895941        0.0000
Minimization converged after 4 steps.
Maximum force component: 2.448366196642546e-30 eV/Angstrom
Maximum stress component: 1.357994738975986e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', 'Cr', '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 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 5.15346909e-40]
 [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]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.43037501e-56 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 1.03069382e-39]
 [0.00000000e+00 0.00000000e+00 5.00000000e-01]]
cellpar =  Cell([[5.702442035602551, -1.3737631146201989e-39, 8.700446617130609e-34], [-1.5310924151924214e-33, 5.702442035602551, 4.774825785406321e-23], [-6.633768349430554e-33, 4.7748257854963824e-23, 5.702442035602551]])
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]
 [-3.39725453e-31  1.24175510e-30  8.90314981e-31]
 [ 4.04156143e-31 -9.60603005e-31  1.31204313e-30]
 [-1.52290720e-31  1.05432037e-30 -1.32375780e-30]
 [-4.21728149e-31 -6.15020217e-31 -9.37173664e-31]
 [-9.37173664e-32  5.38874857e-31 -2.44836620e-30]
 [-7.61453602e-32 -8.66885639e-31 -1.75720062e-30]
 [-2.22578745e-31 -6.56021565e-31  7.32166925e-31]
 [-1.40576050e-31  9.95747018e-31  1.47019119e-30]
 [ 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]]
stress =  [1.35799474e-13 1.35799474e-13 1.35799474e-13 8.27820051e-29
 7.89691500e-36 3.55598380e-51]
energy per atom =  -4.118496339492918
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0