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 16:15:20      -85.816233        55.277045
BFGS:    1 16:15:20      -91.263574        44.619868
BFGS:    2 16:15:20      -94.290853        38.740348
BFGS:    3 16:15:20      -97.954350        31.048709
BFGS:    4 16:15:20     -100.269903        26.152913
BFGS:    5 16:15:21     -102.101319        22.301517
BFGS:    6 16:15:21     -103.589430        19.266459
BFGS:    7 16:15:21     -104.850284        16.776626
BFGS:    8 16:15:21     -105.948813        14.695897
BFGS:    9 16:15:21     -106.925980        12.928572
BFGS:   10 16:15:21     -107.783936        11.378705
BFGS:   11 16:15:21     -108.527248        10.065129
BFGS:   12 16:15:21     -109.176848         8.918068
BFGS:   13 16:15:21     -109.749870         7.871066
BFGS:   14 16:15:21     -110.254377         6.926585
BFGS:   15 16:15:21     -110.698369         6.077055
BFGS:   16 16:15:21     -111.086938         5.277098
BFGS:   17 16:15:21     -111.422690         4.541165
BFGS:   18 16:15:21     -111.708429         3.852643
BFGS:   19 16:15:21     -111.945040         3.203143
BFGS:   20 16:15:22     -112.131442         2.586416
BFGS:   21 16:15:22     -112.266062         1.959178
BFGS:   22 16:15:22     -112.344349         1.308510
BFGS:   23 16:15:22     -112.361496         0.923201
BFGS:   24 16:15:22     -112.364818         0.784056
BFGS:   25 16:15:22     -112.377277         0.227591
BFGS:   26 16:15:22     -112.377942         0.193392
BFGS:   27 16:15:22     -112.379155         0.082197
BFGS:   28 16:15:22     -112.379254         0.023138
BFGS:   29 16:15:23     -112.379261         0.000679
BFGS:   30 16:15:23     -112.379261         0.000037
BFGS:   31 16:15:23     -112.379261         0.000001
BFGS:   32 16:15:23     -112.379261         0.000000
BFGS:   33 16:15:23     -112.379261         0.000000
Minimization converged after 33 steps.
Maximum force component: 3.453109710105092e-09 eV/Angstrom
Maximum stress component: 4.82598174462135e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ni', 'Ni', 'Ni', 'Ni', 'V', 'V']
basis =  [[3.12582212e-01 0.00000000e+00 9.94007586e-32]
 [6.87417788e-01 5.17217514e-36 2.18337461e-16]
 [8.12582212e-01 5.00000000e-01 5.00000000e-01]
 [1.87417788e-01 5.00000000e-01 5.00000000e-01]
 [1.16819469e-16 0.00000000e+00 1.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]]
cellpar =  Cell([[8.812855880663243, -5.337448668984236e-35, -1.8310105128213398e-15], [0.0, 2.97606219250119, 2.443125988887479e-19], [0.0, 8.675307474366924e-20, 2.976062192378254]])
forces =  [[-3.45310971e-09  2.09135337e-44  7.17438282e-25]
 [ 3.45310971e-09 -2.09135337e-44 -7.17438282e-25]
 [-3.45310971e-09  2.09135337e-44  7.17438282e-25]
 [ 3.45310971e-09 -2.09135337e-44 -7.17438282e-25]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [4.82598174e-10 3.98388307e-10 1.94194276e-10 4.31197913e-26
 0.00000000e+00 0.00000000e+00]
energy per atom =  -18.729876847691553
===============================================
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.