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 21:31:51      -23.302710         1.179817
BFGS:    1 21:31:51      -23.356345         0.939186
BFGS:    2 21:31:51      -23.438520         0.132393
BFGS:    3 21:31:51      -23.439983         0.014241
BFGS:    4 21:31:51      -23.440000         0.000186
BFGS:    5 21:31:52      -23.440000         0.000000
BFGS:    6 21:31:52      -23.440000         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.193184237386627e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Pt', 'Pt', 'Pt']
basis =  [[0.  0.  0. ]
 [0.  0.5 0.5]
 [0.5 0.  0.5]
 [0.5 0.5 0. ]]
cellpar =  Cell([[3.8439738758711424, -1.1018688925136207e-32, -1.4179965145390137e-32], [-1.1766157726263133e-32, 3.8439738758711424, 9.351807627935314e-18], [1.309848615504787e-32, 9.35180762793531e-18, 3.8439738758711424]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.19318424e-13 -3.19318424e-13 -3.19318424e-13  1.42382320e-29
  3.47574865e-35 -8.74226549e-52]
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