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 16:14:59      -29.343621         1.785732
BFGS:    1 16:14:59      -29.482185         1.669882
BFGS:    2 16:15:00      -29.636762         1.401937
BFGS:    3 16:15:00      -29.715363         1.107082
BFGS:    4 16:15:00      -29.757222         0.807308
BFGS:    5 16:15:01      -29.783210         0.514896
BFGS:    6 16:15:01      -29.803523         0.305558
BFGS:    7 16:15:01      -29.817669         0.320748
BFGS:    8 16:15:01      -29.823924         0.296800
BFGS:    9 16:15:01      -29.827296         0.245891
BFGS:   10 16:15:02      -29.831666         0.170144
BFGS:   11 16:15:02      -29.836696         0.147165
BFGS:   12 16:15:02      -29.840282         0.162433
BFGS:   13 16:15:02      -29.841779         0.164581
BFGS:   14 16:15:02      -29.842613         0.139136
BFGS:   15 16:15:02      -29.843738         0.094514
BFGS:   16 16:15:02      -29.845212         0.076131
BFGS:   17 16:15:02      -29.846178         0.034065
BFGS:   18 16:15:03      -29.846414         0.010144
BFGS:   19 16:15:03      -29.846436         0.001927
BFGS:   20 16:15:03      -29.846436         0.000076
BFGS:   21 16:15:04      -29.846436         0.000008
BFGS:   22 16:15:04      -29.846436         0.000001
BFGS:   23 16:15:04      -29.846436         0.000000
BFGS:   24 16:15:04      -29.846436         0.000000
Minimization converged after 24 steps.
Maximum force component: 5.948275639405811e-09 eV/Angstrom
Maximum stress component: 7.361471366837287e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ni', 'Ni', 'Ni', 'Ni', 'V', 'V']
basis =  [[3.23289585e-01 1.35654803e-35 0.00000000e+00]
 [6.76710415e-01 4.23160747e-36 2.18337461e-16]
 [8.23289585e-01 5.00000000e-01 5.00000000e-01]
 [1.76710415e-01 5.00000000e-01 5.00000000e-01]
 [1.16819469e-16 9.85192893e-50 1.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]]
cellpar =  Cell([[8.106910494270107, -7.638218305767397e-34, -2.1227266580036422e-15], [0.0, 2.6044180168545115, 9.741367361026671e-19], [0.0, 1.2414900164554035e-18, 3.4502076899077307]])
forces =  [[ 5.94827564e-09 -5.60438257e-43 -1.55750619e-24]
 [-5.94827564e-09  1.60509653e-32  1.55750619e-24]
 [ 5.94827564e-09  4.01274132e-33 -1.55750619e-24]
 [-5.94827564e-09  1.60509653e-32  1.55750619e-24]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [ 5.48947828e-10  7.36147137e-10  3.27788338e-11 -6.85858514e-34
  0.00000000e+00  0.00000000e+00]
energy per atom =  -4.974406043719931
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0