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:
Sim_LAMMPS_MEAM_MaiselKoZhang_2017_VNiTi__SM_971529344487_000
==== 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 15:34:13      -29.343621        1.7857
BFGS:    1 15:34:13      -29.482185        1.6699
BFGS:    2 15:34:13      -29.636762        1.4019
BFGS:    3 15:34:14      -29.715363        1.1071
BFGS:    4 15:34:14      -29.757222        0.8073
BFGS:    5 15:34:14      -29.783210        0.5149
BFGS:    6 15:34:14      -29.803523        0.3056
BFGS:    7 15:34:14      -29.817669        0.3207
BFGS:    8 15:34:14      -29.823924        0.2968
BFGS:    9 15:34:14      -29.827296        0.2459
BFGS:   10 15:34:14      -29.831666        0.1701
BFGS:   11 15:34:14      -29.836696        0.1472
BFGS:   12 15:34:14      -29.840282        0.1624
BFGS:   13 15:34:14      -29.841779        0.1646
BFGS:   14 15:34:14      -29.842613        0.1391
BFGS:   15 15:34:14      -29.843738        0.0945
BFGS:   16 15:34:14      -29.845212        0.0761
BFGS:   17 15:34:14      -29.846178        0.0341
BFGS:   18 15:34:14      -29.846414        0.0101
BFGS:   19 15:34:14      -29.846436        0.0019
BFGS:   20 15:34:14      -29.846436        0.0001
BFGS:   21 15:34:14      -29.846436        0.0000
BFGS:   22 15:34:14      -29.846436        0.0000
BFGS:   23 15:34:14      -29.846436        0.0000
BFGS:   24 15:34:14      -29.846436        0.0000
Minimization converged after 24 steps.
Maximum force component: 5.9482803088748305e-09 eV/Angstrom
Maximum stress component: 7.361472553438381e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ni', 'Ni', 'Ni', 'Ni', 'V', 'V']
basis =  [[3.23289585e-01 0.00000000e+00 0.00000000e+00]
 [6.76710415e-01 0.00000000e+00 2.18337461e-16]
 [8.23289585e-01 5.00000000e-01 5.00000000e-01]
 [1.76710415e-01 5.00000000e-01 5.00000000e-01]
 [0.00000000e+00 6.56795262e-50 1.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]]
cellpar =  Cell([[8.106910494270107, 1.335804293065508e-33, -2.122726658003643e-15], [0.0, 2.6044180168545115, -1.6737859351976135e-18], [0.0, -2.171170850834279e-18, 3.450207689907733]])
forces =  [[ 5.94828031e-09  9.80119169e-43 -1.55750741e-24]
 [-5.94828031e-09 -9.80119155e-43  1.55750739e-24]
 [ 5.94828031e-09  9.80119169e-43 -1.55750741e-24]
 [-5.94828031e-09 -9.80119169e-43  1.55750741e-24]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [ 5.48947833e-10  7.36147255e-10  3.27803510e-11 -3.42929257e-34
  0.00000000e+00  0.00000000e+00]
energy per atom =  -4.974406043719929
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0