element(s):
['Ni', 'V']
AFLOW prototype label:
A2B_oI6_71_e_a
Parameter names:
['a', 'b/a', 'c/a', 'x2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['7.603', '0.45495199', '0.34374589', '0.33210893']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ni', 'V']
representative atom coordinates =  [[0.33210893 0.         0.        ]
 [0.         0.         0.        ]]
spacegroup =  71
cell =  [[7.603, 0, 0], [0, 2.6135, 0], [0, 0, 3.459]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:34:25      -85.816233       55.2770
BFGS:    1 15:34:25      -91.263574       44.6199
BFGS:    2 15:34:25      -94.290853       38.7403
BFGS:    3 15:34:25      -97.954350       31.0487
BFGS:    4 15:34:25     -100.269903       26.1529
BFGS:    5 15:34:25     -102.101319       22.3015
BFGS:    6 15:34:26     -103.589430       19.2665
BFGS:    7 15:34:26     -104.850284       16.7766
BFGS:    8 15:34:26     -105.948813       14.6959
BFGS:    9 15:34:26     -106.925980       12.9286
BFGS:   10 15:34:26     -107.783936       11.3787
BFGS:   11 15:34:26     -108.527248       10.0651
BFGS:   12 15:34:26     -109.176848        8.9181
BFGS:   13 15:34:26     -109.749870        7.8711
BFGS:   14 15:34:26     -110.254377        6.9266
BFGS:   15 15:34:26     -110.698369        6.0771
BFGS:   16 15:34:26     -111.086938        5.2771
BFGS:   17 15:34:26     -111.422690        4.5412
BFGS:   18 15:34:26     -111.708429        3.8526
BFGS:   19 15:34:26     -111.945040        3.2031
BFGS:   20 15:34:26     -112.131442        2.5864
BFGS:   21 15:34:26     -112.266062        1.9592
BFGS:   22 15:34:26     -112.344349        1.3085
BFGS:   23 15:34:26     -112.361496        0.9232
BFGS:   24 15:34:26     -112.364818        0.7841
BFGS:   25 15:34:26     -112.377277        0.2276
BFGS:   26 15:34:26     -112.377942        0.1934
BFGS:   27 15:34:26     -112.379155        0.0822
BFGS:   28 15:34:26     -112.379254        0.0231
BFGS:   29 15:34:26     -112.379261        0.0007
BFGS:   30 15:34:26     -112.379261        0.0000
BFGS:   31 15:34:26     -112.379261        0.0000
BFGS:   32 15:34:26     -112.379261        0.0000
BFGS:   33 15:34:26     -112.379261        0.0000
Minimization converged after 33 steps.
Maximum force component: 3.453153947559504e-09 eV/Angstrom
Maximum stress component: 4.826004502382713e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ni', 'Ni', 'Ni', 'Ni', 'V', 'V']
basis =  [[3.12582212e-01 2.25974830e-34 0.00000000e+00]
 [6.87417788e-01 5.41682491e-35 2.18337461e-16]
 [8.12582212e-01 5.00000000e-01 5.00000000e-01]
 [1.87417788e-01 5.00000000e-01 5.00000000e-01]
 [0.00000000e+00 0.00000000e+00 1.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]]
cellpar =  Cell([[8.812855880663244, -1.0833501696130728e-33, -1.8310105128213382e-15], [0.0, 2.97606219250119, 2.316111466166541e-18], [0.0, 1.760840507640838e-18, 2.9760621923782535]])
forces =  [[-3.45315395e-09 -1.46731195e-31  7.17447473e-25]
 [ 3.45315395e-09 -3.66827987e-32 -7.17447179e-25]
 [-3.45315395e-09 -3.66827987e-31  7.17447473e-25]
 [ 3.45315395e-09 -4.24490476e-43 -7.17447179e-25]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [ 4.82600450e-10  3.98388694e-10  1.94193190e-10 -1.11333648e-32
  0.00000000e+00  0.00000000e+00]
energy per atom =  -18.72987684769156
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is A2B_oI6_71_e_a, while relaxed is A2B_tI6_139_e_a. Skipping parameter set 0.
No parameter sets in this group successfully added a property instance. Skipping this group.