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 12:38:28      100.503786       194.756831
BFGS:    1 12:38:28       72.835026       174.544173
BFGS:    2 12:38:28       48.055311       156.154472
BFGS:    3 12:38:28       25.900951       139.524233
BFGS:    4 12:38:28        6.123211       124.427304
BFGS:    5 12:38:28      -11.498191       110.749854
BFGS:    6 12:38:28      -27.166077        98.359471
BFGS:    7 12:38:28      -41.066240        87.182328
BFGS:    8 12:38:28      -53.373266        77.055651
BFGS:    9 12:38:28      -64.230364        67.879758
BFGS:   10 12:38:28      -73.776819        59.544803
BFGS:   11 12:38:28      -82.133404        52.002089
BFGS:   12 12:38:28      -89.413406        45.178812
BFGS:   13 12:38:28      -95.719710        39.008983
BFGS:   14 12:38:28     -101.145773        33.432768
BFGS:   15 12:38:28     -105.776499        28.395888
BFGS:   16 12:38:28     -109.689036        23.849093
BFGS:   17 12:38:28     -112.953489        19.747675
BFGS:   18 12:38:28     -115.634269        16.079397
BFGS:   19 12:38:28     -117.795296        12.777673
BFGS:   20 12:38:28     -119.483229         9.781230
BFGS:   21 12:38:28     -120.745521         7.117184
BFGS:   22 12:38:28     -121.628522         4.700066
BFGS:   23 12:38:28     -122.168098         2.534168
BFGS:   24 12:38:28     -122.400185         0.596585
BFGS:   25 12:38:28     -122.414873         0.042691
BFGS:   26 12:38:28     -122.414950         0.000799
BFGS:   27 12:38:28     -122.414950         0.000001
BFGS:   28 12:38:28     -122.414950         0.000000
Minimization converged after 28 steps.
Maximum force component: 5.670840327036653e-30 eV/Angstrom
Maximum stress component: 1.6672488399624792e-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 5.71547355e-34]
 [0.00000000e+00 5.00000000e-01 2.50000000e-01]
 [0.00000000e+00 5.00000000e-01 7.50000000e-01]]
cellpar =  Cell([[5.391483108274847, 2.611634575897653e-32, -2.7446897941854633e-32], [4.4440597418598004e-32, 5.391483108274847, 3.5416104010826434e-17], [6.108768978207386e-32, 3.541610401082637e-17, 5.391483108274847]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 2.83542016e-30 -1.10758600e-32 -7.27561976e-50]
 [-2.83542016e-30  3.46120625e-32  2.27363117e-49]
 [-2.33716333e-62 -2.83542016e-30 -1.86255866e-47]
 [ 2.39363562e-62  2.83542016e-30  4.98413701e-32]
 [ 2.76896500e-33 -2.21517200e-32 -5.67084033e-30]
 [ 4.15344751e-32  3.72511732e-47  5.67084033e-30]]
stress =  [-1.66724884e-12 -1.66724884e-12 -1.66724884e-12 -3.29583802e-28
  2.13821177e-50 -2.46541497e-60]
energy per atom =  -15.301868802010752
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0