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:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== 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 11:19:36      -49.640816       118.654175
BFGS:    1 11:19:36      -66.345432       104.317937
BFGS:    2 11:19:36      -81.012605        91.433822
BFGS:    3 11:19:36      -93.838230        79.776450
BFGS:    4 11:19:36     -105.008089        69.369392
BFGS:    5 11:19:36     -114.691162        59.903453
BFGS:    6 11:19:36     -123.026274        51.380813
BFGS:    7 11:19:36     -130.148063        43.711601
BFGS:    8 11:19:36     -136.178353        36.814633
BFGS:    9 11:19:36     -141.227385        30.616542
BFGS:   10 11:19:36     -145.394933        25.051001
BFGS:   11 11:19:36     -148.771304        20.058025
BFGS:   12 11:19:36     -151.438247        15.583348
BFGS:   13 11:19:36     -153.472965        11.606935
BFGS:   14 11:19:36     -154.940312         8.025024
BFGS:   15 11:19:36     -155.905555         4.902996
BFGS:   16 11:19:36     -156.422944         2.050711
BFGS:   17 11:19:36     -156.542710         0.196525
BFGS:   18 11:19:36     -156.543884         0.009073
BFGS:   19 11:19:36     -156.543886         0.000043
BFGS:   20 11:19:36     -156.543886         0.000000
Minimization converged after 20 steps.
Maximum force component: 1.4068717953060718e-30 eV/Angstrom
Maximum stress component: 5.456061099059823e-10 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 0.00000000e+00]
 [5.00000000e-01 7.50000000e-01 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 2.50000000e-01]
 [7.70364141e-34 5.00000000e-01 7.50000000e-01]]
cellpar =  Cell([[5.350265627291726, -2.7310956257440046e-32, -2.428529155770897e-32], [-4.186921232468809e-32, 5.350265627291726, -2.85526946739141e-17], [1.8736499987481058e-32, -2.8552694673914125e-17, 5.350265627291726]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-6.85362622e-64  4.94603366e-32 -8.51816907e-32]
 [ 6.88148998e-66  3.84691507e-32  8.79294872e-32]
 [-1.09911859e-32  1.40687180e-30  3.84691507e-32]
 [ 7.96860978e-32 -1.40687180e-30 -2.74779648e-32]
 [ 3.29735577e-32  2.19823718e-32 -1.17313045e-49]
 [ 4.39647436e-32  8.79294872e-32 -4.69252178e-49]]
stress =  [-5.45606110e-10 -5.45606110e-10 -5.45606110e-10  1.33980489e-26
 -4.01889396e-33  1.09905829e-49]
energy per atom =  -19.567985788903577
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0