element(s):
['Co', 'Pt']
AFLOW prototype label:
AB3_cP4_221_a_c
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.9054']
model name:
MEAM_LAMMPS_KimSeolJi_2017_PtCo__MO_545073984441_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Co', 'Pt']
representative atom coordinates =  [[0.  0.  0. ]
 [0.  0.5 0.5]]
spacegroup =  221
cell =  [[3.9054, 0, 0], [0, 3.9054, 0], [0, 0, 3.9054]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 13:20:17      -22.218456         0.797203
BFGS:    1 13:20:17      -22.242817         0.627696
BFGS:    2 13:20:17      -22.279673         0.061765
BFGS:    3 13:20:17      -22.279999         0.004147
BFGS:    4 13:20:17      -22.280000         0.000025
BFGS:    5 13:20:17      -22.280000         0.000000
BFGS:    6 13:20:17      -22.280000         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 7.00677864628649e-16 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Co', 'Pt', 'Pt', 'Pt']
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 2.49695293e-35]]
cellpar =  Cell([[3.8565603705823737, -1.4553881496234628e-32, -4.044485380592792e-33], [-3.998720233631917e-33, 3.8565603705823737, 8.04801477228959e-19], [2.11608196215698e-33, 8.048014772289608e-19, 3.8565603705823737]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 7.00677865e-16  7.00677865e-16  7.00677865e-16 -1.23383780e-32
 -3.36725975e-38 -1.03110891e-55]
energy per atom =  -5.5700000000740415
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0