element(s):
['Pt', 'V']
AFLOW prototype label:
AB3_cP8_223_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:
['4.8419']
model name:
MEAM_LAMMPS_KimSeolJi_2017_PtV__MO_912978207512_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Pt', 'V']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.25 0.   0.5 ]]
spacegroup =  223
cell =  [[4.8419, 0, 0], [0, 4.8419, 0], [0, 0, 4.8419]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 20:39:45      -47.251469         0.244360
BFGS:    1 20:39:45      -47.253902         0.220151
BFGS:    2 20:39:45      -47.264185         0.006026
BFGS:    3 20:39:45      -47.264192         0.000143
BFGS:    4 20:39:45      -47.264192         0.000000
BFGS:    5 20:39:45      -47.264192         0.000000
Minimization converged after 5 steps.
Maximum force component: 1.2380066374460213e-32 eV/Angstrom
Maximum stress component: 9.493626073206906e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Pt', 'Pt', 'V', 'V', 'V', 'V', 'V', 'V']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [2.50000000e-01 0.00000000e+00 5.00000000e-01]
 [7.50000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 2.50000000e-01 1.56047484e-37]
 [5.00000000e-01 7.50000000e-01 0.00000000e+00]
 [5.97887588e-44 5.00000000e-01 2.50000000e-01]
 [0.00000000e+00 5.00000000e-01 7.50000000e-01]]
cellpar =  Cell([[4.8210734808421805, -5.220061668671527e-33, -5.4626298468979724e-34], [-6.604890604459827e-33, 4.8210734808421805, -1.4243060495984955e-20], [3.683791233868085e-34, -1.424306049598453e-20, 4.8210734808421805]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 7.42803982e-33 -4.95202655e-33  1.46299396e-53]
 [ 1.23800664e-33  4.95202655e-33 -2.32126245e-34]
 [ 2.47601327e-33  7.31496979e-54 -2.47601327e-33]
 [ 4.95202655e-33 -2.19449094e-53  7.42803982e-33]
 [-1.23800664e-33  1.34046308e-66  1.40275232e-67]
 [ 1.23800664e-32 -3.65748489e-54  1.23800664e-33]]
stress =  [-9.49362607e-14 -9.49362607e-14 -9.49362607e-14  1.27370628e-30
  8.83856393e-35 -6.00470878e-52]
energy per atom =  -5.908024036304915
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0