element(s):
['Fe', '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:
['3.9167']
model name:
MEAM_LAMMPS_KimLee_2006_PtFe__MO_343168101490_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Fe', 'Pt']
representative atom coordinates =  [[0.  0.  0. ]
 [0.  0.5 0.5]]
spacegroup =  221
cell =  [[3.9167, 0, 0], [0, 3.9167, 0], [0, 0, 3.9167]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 13:20:16      -23.302710         1.179817
BFGS:    1 13:20:16      -23.356345         0.939186
BFGS:    2 13:20:17      -23.438520         0.132393
BFGS:    3 13:20:17      -23.439983         0.014241
BFGS:    4 13:20:17      -23.440000         0.000186
BFGS:    5 13:20:17      -23.440000         0.000000
BFGS:    6 13:20:17      -23.440000         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.180739634005399e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', '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 2.00410305e-34]]
cellpar =  Cell([[3.8439738758711433, 1.3300623010197688e-32, -8.519040538753447e-33], [-6.421997890469036e-33, 3.8439738758711433, 9.35165343122573e-18], [-1.3092320579821616e-32, 9.351653431225738e-18, 3.8439738758711433]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.18073963e-13 -3.18073963e-13 -3.18073963e-13  2.83197315e-29
  8.34179676e-34  9.11182600e-50]
energy per atom =  -5.860000000568096
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0