element(s):
['Fe', '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:
['4.6798']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Fe', 'V']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.25 0.   0.5 ]]
spacegroup =  223
cell =  [[4.6798, 0, 0], [0, 4.6798, 0], [0, 0, 4.6798]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 12:24:33      100.503786       194.756831
BFGS:    1 12:24:33       72.835026       174.544173
BFGS:    2 12:24:34       48.055311       156.154472
BFGS:    3 12:24:34       25.900951       139.524233
BFGS:    4 12:24:34        6.123211       124.427304
BFGS:    5 12:24:35      -11.498191       110.749854
BFGS:    6 12:24:35      -27.166077        98.359471
BFGS:    7 12:24:35      -41.066240        87.182328
BFGS:    8 12:24:36      -53.373266        77.055651
BFGS:    9 12:24:36      -64.230364        67.879758
BFGS:   10 12:24:36      -73.776819        59.544803
BFGS:   11 12:24:37      -82.133404        52.002089
BFGS:   12 12:24:37      -89.413406        45.178812
BFGS:   13 12:24:37      -95.719710        39.008983
BFGS:   14 12:24:37     -101.145773        33.432768
BFGS:   15 12:24:38     -105.776499        28.395888
BFGS:   16 12:24:38     -109.689036        23.849093
BFGS:   17 12:24:38     -112.953489        19.747675
BFGS:   18 12:24:38     -115.634269        16.079397
BFGS:   19 12:24:39     -117.795296        12.777673
BFGS:   20 12:24:39     -119.483229         9.781230
BFGS:   21 12:24:39     -120.745521         7.117184
BFGS:   22 12:24:40     -121.628522         4.700066
BFGS:   23 12:24:40     -122.168098         2.534168
BFGS:   24 12:24:40     -122.400185         0.596585
BFGS:   25 12:24:40     -122.414873         0.042691
BFGS:   26 12:24:41     -122.414950         0.000799
BFGS:   27 12:24:41     -122.414950         0.000001
BFGS:   28 12:24:41     -122.414950         0.000000
Minimization converged after 28 steps.
Maximum force component: 2.835420163518326e-30 eV/Angstrom
Maximum stress component: 1.6702222783466653e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Fe', 'Fe', '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]
 [2.23688738e-34 5.00000000e-01 2.50000000e-01]
 [0.00000000e+00 5.00000000e-01 7.50000000e-01]]
cellpar =  Cell([[5.391483108274846, 5.149379380708767e-32, -7.96085730556371e-33], [3.0583963304472405e-32, 5.391483108274846, 2.3615143186709222e-17], [1.1776520242926846e-32, 2.36151431867092e-17, 5.391483108274846]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 2.51317635e-64  4.43034401e-32  1.94052742e-49]
 [ 7.53952906e-64  1.32910320e-31  5.82158226e-49]
 [-1.60843287e-62 -2.83542016e-30 -1.24193755e-47]
 [ 1.62778711e-62  2.83542016e-30  8.86068801e-32]
 [-4.43034401e-32 -4.23140008e-64  6.54167615e-65]
 [ 4.43034401e-32  4.23140008e-64 -6.54167615e-65]]
stress =  [-1.67022228e-12 -1.67022228e-12 -1.67022228e-12  6.58496857e-29
  3.39438049e-61  1.15185716e-60]
energy per atom =  -15.301868802010762
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0