element(s):
['Pt', 'V']
AFLOW prototype label:
AB_oP4_51_e_f
Parameter names:
['a', 'b/a', 'c/a', 'z1', 'z2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.5244', '0.61782778', '1.0656441', '0.68098834', '0.18264711']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Pt', 'V']
representative atom coordinates =  [[0.25       0.         0.68098834]
 [0.25       0.5        0.18264711]]
spacegroup =  51
cell =  [[4.5244, 0, 0], [0, 2.7953, 0], [0, 0, 4.8214]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 14:48:00      -93.281006        17.256050
BFGS:    1 14:48:00      -94.572893         8.978352
BFGS:    2 14:48:00      -94.844485         4.662026
BFGS:    3 14:48:00      -95.025703         1.368536
BFGS:    4 14:48:00      -95.040931         0.508023
BFGS:    5 14:48:00      -95.042707         0.138200
BFGS:    6 14:48:00      -95.043385         0.055395
BFGS:    7 14:48:00      -95.043475         0.019061
BFGS:    8 14:48:00      -95.043479         0.002145
BFGS:    9 14:48:00      -95.043479         0.000083
BFGS:   10 14:48:00      -95.043479         0.000003
BFGS:   11 14:48:00      -95.043479         0.000000
BFGS:   12 14:48:00      -95.043479         0.000000
BFGS:   13 14:48:00      -95.043479         0.000000
Minimization converged after 13 steps.
Maximum force component: 3.4953122211899344e-09 eV/Angstrom
Maximum stress component: 2.97368755258137e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Pt', 'Pt', 'V', 'V']
basis =  [[2.50000000e-01 0.00000000e+00 6.74177859e-01]
 [7.50000000e-01 1.26200362e-34 3.25822141e-01]
 [2.50000000e-01 5.00000000e-01 1.82999214e-01]
 [7.50000000e-01 5.00000000e-01 8.17000786e-01]]
cellpar =  Cell([[4.599291548556667, -2.4901653726829557e-35, 0.0], [1.2164027623238428e-34, 2.8945090918096352, 0.0], [0.0, 0.0, 4.814553283174408]])
forces =  [[ 9.07050324e-31 -4.91098528e-66 -1.63496812e-10]
 [ 0.00000000e+00  0.00000000e+00  1.63496812e-10]
 [ 0.00000000e+00  0.00000000e+00 -3.49531222e-09]
 [ 0.00000000e+00  0.00000000e+00  3.49531222e-09]]
stress =  [-4.32977899e-11 -2.97368755e-10  1.07203288e-10  0.00000000e+00
  0.00000000e+00 -2.31469946e-34]
energy per atom =  -23.76086963860143
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0