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 16:53:10      -49.640816       118.654175
BFGS:    1 16:53:10      -66.345432       104.317937
BFGS:    2 16:53:10      -81.012605        91.433822
BFGS:    3 16:53:10      -93.838230        79.776450
BFGS:    4 16:53:10     -105.008089        69.369392
BFGS:    5 16:53:10     -114.691162        59.903453
BFGS:    6 16:53:10     -123.026274        51.380813
BFGS:    7 16:53:10     -130.148063        43.711601
BFGS:    8 16:53:10     -136.178353        36.814633
BFGS:    9 16:53:10     -141.227385        30.616542
BFGS:   10 16:53:10     -145.394933        25.051001
BFGS:   11 16:53:10     -148.771304        20.058025
BFGS:   12 16:53:10     -151.438247        15.583348
BFGS:   13 16:53:10     -153.472965        11.606935
BFGS:   14 16:53:10     -154.940312         8.025024
BFGS:   15 16:53:10     -155.905555         4.902996
BFGS:   16 16:53:10     -156.422944         2.050711
BFGS:   17 16:53:10     -156.542710         0.196525
BFGS:   18 16:53:10     -156.543884         0.009073
BFGS:   19 16:53:10     -156.543886         0.000043
BFGS:   20 16:53:10     -156.543886         0.000000
Minimization converged after 20 steps.
Maximum force component: 2.8137435906121433e-30 eV/Angstrom
Maximum stress component: 5.45608689619669e-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 2.87975226e-34 5.00000000e-01]
 [7.50000000e-01 5.75950453e-34 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]
 [5.31636912e-34 5.00000000e-01 7.50000000e-01]]
cellpar =  Cell([[5.3502656272917255, -3.7348620617614337e-32, 4.885787522370973e-33], [-2.601208931210674e-32, 5.3502656272917255, -2.194821678256706e-17], [2.9941501071639923e-34, -2.194821678256706e-17, 5.3502656272917255]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 2.81374359e-30 -1.96419111e-62  2.56947118e-63]
 [-2.81374359e-30  1.96419111e-62 -2.56947118e-63]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [-5.45608690e-10 -5.45608690e-10 -5.45608690e-10  6.96050396e-27
 -1.14825542e-33 -1.75591395e-51]
energy per atom =  -19.56798578890358
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0