element(s):
['Pt', 'V']
AFLOW prototype label:
A2B_oI6_71_e_a
Parameter names:
['a', 'b/a', 'c/a', 'x2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['8.4361', '0.45190313', '0.33281967', '0.33804473']
model name:
MEAM_LAMMPS_KimSeolJi_2017_PtV__MO_912978207512_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Pt', 'V']
representative atom coordinates =  [[0.33804473 0.         0.        ]
 [0.         0.         0.        ]]
spacegroup =  71
cell =  [[8.4361, 0, 0], [0, 2.8077, 0], [0, 0, 3.8123]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:16:37      -36.765342         1.764959
BFGS:    1 15:16:37      -36.837168         1.339532
BFGS:    2 15:16:37      -36.933349         0.780374
BFGS:    3 15:16:37      -36.970697         0.409440
BFGS:    4 15:16:37      -36.976075         0.282576
BFGS:    5 15:16:37      -36.982672         0.216534
BFGS:    6 15:16:37      -36.985578         0.205930
BFGS:    7 15:16:37      -36.989095         0.175148
BFGS:    8 15:16:37      -36.992430         0.178840
BFGS:    9 15:16:37      -36.996330         0.132353
BFGS:   10 15:16:37      -36.998011         0.043788
BFGS:   11 15:16:37      -36.998245         0.012456
BFGS:   12 15:16:37      -36.998253         0.008207
BFGS:   13 15:16:37      -36.998255         0.007552
BFGS:   14 15:16:37      -36.998262         0.006311
BFGS:   15 15:16:37      -36.998266         0.003211
BFGS:   16 15:16:37      -36.998267         0.000823
BFGS:   17 15:16:37      -36.998267         0.000170
BFGS:   18 15:16:37      -36.998267         0.000010
BFGS:   19 15:16:37      -36.998267         0.000001
BFGS:   20 15:16:37      -36.998267         0.000000
BFGS:   21 15:16:37      -36.998267         0.000000
Minimization converged after 21 steps.
Maximum force component: 2.695460001034267e-11 eV/Angstrom
Maximum stress component: 1.4811666847812123e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Pt', 'Pt', 'Pt', 'Pt', 'V', 'V']
basis =  [[3.34913347e-01 0.00000000e+00 0.00000000e+00]
 [6.65086653e-01 0.00000000e+00 1.27893785e-35]
 [8.34913347e-01 5.00000000e-01 5.00000000e-01]
 [1.65086653e-01 5.00000000e-01 5.00000000e-01]
 [0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]]
cellpar =  Cell([[8.146474668439497, 0.0, 0.0], [0.0, 2.7552410035378974, 1.791308233746461e-33], [0.0, 7.037677099061987e-32, 3.8447392444790562]])
forces =  [[ 2.69546e-11  0.00000e+00  0.00000e+00]
 [-2.69546e-11  0.00000e+00  0.00000e+00]
 [ 2.69546e-11  0.00000e+00  0.00000e+00]
 [-2.69546e-11  0.00000e+00  0.00000e+00]
 [ 0.00000e+00  0.00000e+00  0.00000e+00]
 [ 0.00000e+00  0.00000e+00  0.00000e+00]]
stress =  [ 7.23645311e-13  1.48116668e-11  3.95894912e-12 -1.30013293e-43
  0.00000000e+00  0.00000000e+00]
energy per atom =  -6.1663778220288235
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0