element(s):
['Ni', '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:
['4.7127']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ni', 'V']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.25 0.   0.5 ]]
spacegroup =  223
cell =  [[4.7127, 0, 0], [0, 4.7127, 0], [0, 0, 4.7127]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 12:24:38       44.970690       165.460313
BFGS:    1 12:24:39       21.521183       147.499375
BFGS:    2 12:24:39        0.628265       131.334908
BFGS:    3 12:24:39      -17.950718       116.630403
BFGS:    4 12:24:40      -34.430973       103.328712
BFGS:    5 12:24:40      -49.012844        91.297713
BFGS:    6 12:24:40      -61.880839        80.463940
BFGS:    7 12:24:41      -73.200161        70.625860
BFGS:    8 12:24:41      -83.117365        61.764160
BFGS:    9 12:24:41      -91.769121        53.728675
BFGS:   10 12:24:42      -99.274856        46.471213
BFGS:   11 12:24:42     -105.745761        39.919495
BFGS:   12 12:24:42     -111.284819        34.046639
BFGS:   13 12:24:42     -115.985001        28.714659
BFGS:   14 12:24:43     -119.925997        23.913612
BFGS:   15 12:24:43     -123.182875        19.587368
BFGS:   16 12:24:43     -125.823920        15.695508
BFGS:   17 12:24:43     -127.911239        12.227078
BFGS:   18 12:24:44     -129.505480         9.086276
BFGS:   19 12:24:44     -130.653363         6.270390
BFGS:   20 12:24:44     -131.403121         3.777684
BFGS:   21 12:24:44     -131.797613         1.534034
BFGS:   22 12:24:44     -131.882191         0.133647
BFGS:   23 12:24:45     -131.882872         0.005665
BFGS:   24 12:24:45     -131.882874         0.000022
BFGS:   25 12:24:45     -131.882874         0.000000
Minimization converged after 25 steps.
Maximum force component: 3.519231987434807e-31 eV/Angstrom
Maximum stress component: 2.2084746072105112e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ni', 'Ni', '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 1.43903636e-33 5.00000000e-01]
 [7.50000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 2.50000000e-01 1.07927727e-33]
 [5.00000000e-01 7.50000000e-01 0.00000000e+00]
 [7.70371978e-34 5.00000000e-01 2.50000000e-01]
 [0.00000000e+00 5.00000000e-01 7.50000000e-01]]
cellpar =  Cell([[5.353387849456942, 4.5945492971037053e-32, -7.567760230670818e-33], [8.830274168426213e-33, 5.353387849456942, -1.3623549123287767e-17], [1.337929284323171e-32, -1.3623549123287707e-17, 5.353387849456942]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-3.51923199e-31 -2.19951999e-32  5.59744026e-50]
 [ 3.51923199e-31 -2.19951999e-32 -2.19951999e-32]
 [ 2.19951999e-32  1.75961599e-31 -2.19951999e-32]
 [-4.39903998e-32 -1.75961599e-31 -1.09976000e-32]
 [ 2.19951999e-32 -4.47795221e-49  1.75961599e-31]
 [-4.76047222e-64 -2.19951999e-32 -1.75961599e-31]]
stress =  [-2.20847461e-10 -2.20847461e-10 -2.20847461e-10  9.76790285e-27
  1.14691643e-33 -2.01552147e-50]
energy per atom =  -16.485359205414913
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0