element(s):
['Pt', 'V']
AFLOW prototype label:
A8B_tI18_139_hi_a
Parameter names:
['a', 'c/a', 'x2', 'x3']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['8.3759', '0.46774675', '0.33718069', '0.32945211']
model name:
MEAM_LAMMPS_KimSeolJi_2017_PtV__MO_912978207512_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Pt', 'Pt', 'V']
representative atom coordinates =  [[0.33718069 0.33718069 0.        ]
 [0.32945211 0.         0.        ]
 [0.         0.         0.        ]]
spacegroup =  139
cell =  [[8.3759, 0, 0], [0, 8.3759, 0], [0, 0, 3.9178]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 11:31:35     -107.249779         0.792947
BFGS:    1 11:31:35     -107.334522         0.759966
BFGS:    2 11:31:35     -107.501545         0.552391
BFGS:    3 11:31:35     -107.516908         0.481897
BFGS:    4 11:31:35     -107.554757         0.287478
BFGS:    5 11:31:35     -107.585821         0.164100
BFGS:    6 11:31:35     -107.597787         0.134255
BFGS:    7 11:31:35     -107.598921         0.118717
BFGS:    8 11:31:35     -107.599323         0.105293
BFGS:    9 11:31:35     -107.599993         0.088660
BFGS:   10 11:31:35     -107.601268         0.066561
BFGS:   11 11:31:35     -107.602993         0.076110
BFGS:   12 11:31:35     -107.604898         0.080928
BFGS:   13 11:31:35     -107.606739         0.065335
BFGS:   14 11:31:35     -107.608450         0.065851
BFGS:   15 11:31:35     -107.609635         0.040023
BFGS:   16 11:31:35     -107.610081         0.011394
BFGS:   17 11:31:35     -107.610149         0.003231
BFGS:   18 11:31:35     -107.610152         0.000454
BFGS:   19 11:31:35     -107.610152         0.000051
BFGS:   20 11:31:35     -107.610152         0.000003
BFGS:   21 11:31:35     -107.610152         0.000000
BFGS:   22 11:31:35     -107.610152         0.000000
BFGS:   23 11:31:35     -107.610152         0.000000
Minimization converged after 23 steps.
Maximum force component: 1.1104386840382272e-09 eV/Angstrom
Maximum stress component: 5.407259220446919e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Pt', 'Pt', 'Pt', 'Pt', 'Pt', 'Pt', 'Pt', 'Pt', 'Pt', 'Pt', 'Pt', 'Pt', 'Pt', 'Pt', 'Pt', 'Pt', 'V', 'V']
basis =  [[3.34664242e-01 3.34664242e-01 3.92760331e-34]
 [6.65335758e-01 6.65335758e-01 7.85520661e-34]
 [6.65335758e-01 3.34664242e-01 5.89140496e-34]
 [3.34664242e-01 6.65335758e-01 9.81900827e-34]
 [8.34664242e-01 8.34664242e-01 5.00000000e-01]
 [1.65335758e-01 1.65335758e-01 5.00000000e-01]
 [1.65335758e-01 8.34664242e-01 5.00000000e-01]
 [8.34664242e-01 1.65335758e-01 5.00000000e-01]
 [3.33134813e-01 1.00000000e+00 0.00000000e+00]
 [6.66865187e-01 1.00000000e+00 3.48841250e-49]
 [1.00000000e+00 3.33134813e-01 3.92760331e-34]
 [1.00000000e+00 6.66865187e-01 1.17828099e-33]
 [8.33134813e-01 5.00000000e-01 5.00000000e-01]
 [1.66865187e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 8.33134813e-01 5.00000000e-01]
 [5.00000000e-01 1.66865187e-01 5.00000000e-01]
 [1.00000000e+00 1.00000000e+00 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]]
cellpar =  Cell([[8.250541532866093, 1.100721043438181e-35, -1.242277688199992e-32], [4.777948843413847e-36, 8.250541532866094, -8.168670022510985e-18], [2.3121400333254574e-32, -3.806146521391913e-18, 3.9228604197029626]])
forces =  [[ 2.69019294e-10  2.69019294e-10 -2.66349770e-28]
 [-2.69019294e-10 -2.69019294e-10  2.66373947e-28]
 [-2.69019294e-10  2.69019294e-10 -2.66373947e-28]
 [ 2.69019294e-10 -2.69019294e-10  2.66349770e-28]
 [ 2.69019294e-10  2.69019294e-10 -2.66349770e-28]
 [-2.69019294e-10 -2.69019294e-10  2.66373947e-28]
 [-2.69019294e-10  2.69019294e-10 -2.66373947e-28]
 [ 2.69019294e-10 -2.69019294e-10  2.66349770e-28]
 [-1.11043868e-09 -7.62718320e-32  1.67197906e-42]
 [ 1.11043868e-09  1.01695776e-31 -1.67197908e-42]
 [ 1.23941727e-31 -1.11043868e-09  1.09944379e-27]
 [-1.01695776e-31  1.11043868e-09 -1.09944379e-27]
 [-1.11043868e-09 -1.01695776e-31  1.67197908e-42]
 [ 1.11043868e-09  1.01695776e-31 -1.67197908e-42]
 [ 1.01695776e-31 -1.11043868e-09  1.09944379e-27]
 [-1.01695776e-31  1.11043868e-09 -1.09944379e-27]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [-5.40725922e-11 -5.40725922e-11 -2.82244811e-11 -3.74010633e-27
  1.90416752e-34 -1.10888927e-50]
energy per atom =  -5.978341791110172
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0