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:
MEAM_LAMMPS_MaiselKoZhang_2017_VNiTi__MO_744610363128_002
==== 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 21:12:29      -29.343621         1.785732
BFGS:    1 21:12:29      -29.482185         1.669882
BFGS:    2 21:12:29      -29.636762         1.401938
BFGS:    3 21:12:29      -29.715363         1.107082
BFGS:    4 21:12:29      -29.757222         0.807308
BFGS:    5 21:12:29      -29.783210         0.514896
BFGS:    6 21:12:29      -29.803523         0.305558
BFGS:    7 21:12:29      -29.817669         0.320748
BFGS:    8 21:12:29      -29.823924         0.296800
BFGS:    9 21:12:29      -29.827296         0.245891
BFGS:   10 21:12:29      -29.831666         0.170144
BFGS:   11 21:12:29      -29.836696         0.147165
BFGS:   12 21:12:29      -29.840282         0.162433
BFGS:   13 21:12:29      -29.841779         0.164581
BFGS:   14 21:12:29      -29.842613         0.139136
BFGS:   15 21:12:29      -29.843738         0.094514
BFGS:   16 21:12:29      -29.845212         0.076131
BFGS:   17 21:12:29      -29.846178         0.034065
BFGS:   18 21:12:29      -29.846414         0.010144
BFGS:   19 21:12:29      -29.846436         0.001927
BFGS:   20 21:12:29      -29.846436         0.000076
BFGS:   21 21:12:29      -29.846436         0.000008
BFGS:   22 21:12:29      -29.846436         0.000001
BFGS:   23 21:12:29      -29.846436         0.000000
BFGS:   24 21:12:29      -29.846436         0.000000
Minimization converged after 24 steps.
Maximum force component: 5.948277511497702e-09 eV/Angstrom
Maximum stress component: 7.361468795940612e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ni', 'Ni', 'Ni', 'Ni', 'V', 'V']
basis =  [[3.23289585e-01 0.00000000e+00 2.85801963e-31]
 [6.76710415e-01 9.40392611e-37 2.18337461e-16]
 [8.23289585e-01 5.00000000e-01 5.00000000e-01]
 [1.76710415e-01 5.00000000e-01 5.00000000e-01]
 [0.00000000e+00 9.85192893e-50 1.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]]
cellpar =  Cell([[8.106910494270114, -1.769679157501716e-33, -2.1227266580036485e-15], [0.0, 2.604418016854517, 2.2272185090410018e-18], [0.0, 2.8763762940745894e-18, 3.4502076899077396]])
forces =  [[ 5.94827751e-09 -1.29846554e-42 -1.55750685e-24]
 [-5.94827751e-09  1.29846547e-42  1.55750676e-24]
 [ 5.94827751e-09 -1.29846554e-42 -1.55750685e-24]
 [-5.94827751e-09  1.29846547e-42  1.55750676e-24]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [ 5.48947570e-10  7.36146880e-10  3.27800458e-11 -1.63457443e-25
  0.00000000e+00  0.00000000e+00]
energy per atom =  -4.974406043719921
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0