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 09:05:33      -49.640816      118.6542
BFGS:    1 09:05:33      -66.345432      104.3179
BFGS:    2 09:05:33      -81.012605       91.4338
BFGS:    3 09:05:33      -93.838230       79.7764
BFGS:    4 09:05:33     -105.008089       69.3694
BFGS:    5 09:05:33     -114.691162       59.9035
BFGS:    6 09:05:33     -123.026274       51.3808
BFGS:    7 09:05:33     -130.148063       43.7116
BFGS:    8 09:05:33     -136.178353       36.8146
BFGS:    9 09:05:33     -141.227385       30.6165
BFGS:   10 09:05:33     -145.394933       25.0510
BFGS:   11 09:05:33     -148.771304       20.0580
BFGS:   12 09:05:33     -151.438247       15.5833
BFGS:   13 09:05:33     -153.472965       11.6069
BFGS:   14 09:05:33     -154.940312        8.0250
BFGS:   15 09:05:33     -155.905555        4.9030
BFGS:   16 09:05:33     -156.422944        2.0507
BFGS:   17 09:05:33     -156.542710        0.1965
BFGS:   18 09:05:33     -156.543884        0.0091
BFGS:   19 09:05:33     -156.543886        0.0000
BFGS:   20 09:05:33     -156.543886        0.0000
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