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:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== 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 11:30:51     -431.516849        14.768324
BFGS:    1 11:30:51     -439.745693        14.167148
BFGS:    2 11:30:51     -442.952122        13.554405
BFGS:    3 11:30:51     -445.434016        12.679405
BFGS:    4 11:30:51     -447.565872        11.709009
BFGS:    5 11:30:51     -449.412116        10.602955
BFGS:    6 11:30:51     -451.038470         9.454911
BFGS:    7 11:30:51     -452.423016         8.165156
BFGS:    8 11:30:51     -453.596689         6.846950
BFGS:    9 11:30:51     -454.529616         5.390066
BFGS:   10 11:30:51     -455.230915         3.888238
BFGS:   11 11:30:51     -455.684043         2.279987
BFGS:   12 11:30:51     -455.891709         0.632702
BFGS:   13 11:30:51     -455.906453         0.331505
BFGS:   14 11:30:51     -455.908919         0.110093
BFGS:   15 11:30:51     -455.909140         0.060251
BFGS:   16 11:30:51     -455.909268         0.045972
BFGS:   17 11:30:51     -455.909557         0.039244
BFGS:   18 11:30:51     -455.909598         0.015984
BFGS:   19 11:30:51     -455.909602         0.001494
BFGS:   20 11:30:51     -455.909602         0.000057
BFGS:   21 11:30:51     -455.909602         0.000004
BFGS:   22 11:30:51     -455.909602         0.000001
BFGS:   23 11:30:51     -455.909602         0.000000
BFGS:   24 11:30:51     -455.909602         0.000000
Minimization converged after 24 steps.
Maximum force component: 7.437440371965626e-09 eV/Angstrom
Maximum stress component: 2.2096127283410974e-10 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 =  [[3.28680103e-01 3.28680103e-01 0.00000000e+00]
 [6.71319897e-01 6.71319897e-01 0.00000000e+00]
 [6.71319897e-01 3.28680103e-01 0.00000000e+00]
 [3.28680103e-01 6.71319897e-01 0.00000000e+00]
 [8.28680103e-01 8.28680103e-01 5.00000000e-01]
 [1.71319897e-01 1.71319897e-01 5.00000000e-01]
 [1.71319897e-01 8.28680103e-01 5.00000000e-01]
 [8.28680103e-01 1.71319897e-01 5.00000000e-01]
 [3.37457137e-01 1.00000000e+00 0.00000000e+00]
 [6.62542863e-01 1.00000000e+00 0.00000000e+00]
 [1.00000000e+00 3.37457137e-01 0.00000000e+00]
 [1.00000000e+00 6.62542863e-01 0.00000000e+00]
 [8.37457137e-01 5.00000000e-01 5.00000000e-01]
 [1.62542863e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 8.37457137e-01 5.00000000e-01]
 [5.00000000e-01 1.62542863e-01 5.00000000e-01]
 [1.00000000e+00 1.00000000e+00 1.80269603e-49]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]]
cellpar =  Cell([[8.088589968762685, -3.458955816836803e-37, -1.7453049636793653e-32], [6.158324858773897e-36, 8.088589968762689, 2.3403785391868326e-17], [2.803396060378848e-33, 1.0925178308951678e-17, 3.795580357343294]])
forces =  [[-5.36426168e-09 -5.36426168e-09 -1.55211266e-26]
 [ 5.36426168e-09  5.36426168e-09  1.55211266e-26]
 [ 5.36426168e-09 -5.36426168e-09 -1.55211266e-26]
 [-5.36426168e-09  5.36426168e-09  1.55211266e-26]
 [-5.36426168e-09 -5.36426168e-09 -1.55211266e-26]
 [ 5.36426168e-09  5.36426168e-09  1.55211266e-26]
 [ 5.36426168e-09 -5.36426168e-09 -1.55211266e-26]
 [-5.36426168e-09  5.36426168e-09  1.55211266e-26]
 [ 7.43744037e-09 -3.18050213e-46 -1.60480401e-41]
 [-7.43744037e-09 -1.59519310e-30  1.60480355e-41]
 [-7.97596551e-31  7.43744037e-09  2.15197283e-26]
 [-5.66256592e-45 -7.43744037e-09 -2.15197283e-26]
 [ 7.43744037e-09 -3.18050213e-46 -1.60480401e-41]
 [-7.43744037e-09 -1.59519310e-30  1.60480355e-41]
 [ 5.66256592e-45  7.43744037e-09  2.15197283e-26]
 [-5.66256592e-45 -7.43744037e-09 -2.15197283e-26]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [ 4.48339920e-11  4.48339920e-11 -2.20961273e-10  2.86528999e-26
  3.21188092e-33 -3.34660943e-49]
energy per atom =  -25.328311246109212
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0