element(s):
['Ni', 'V']
AFLOW prototype label:
A3B_tI8_139_ad_b
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.5108', '2.0410733']
model name:
Sim_LAMMPS_MEAM_MaiselKoZhang_2017_VNiTi__SM_971529344487_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Ni', 'Ni', 'V']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.   0.5  0.25]
 [0.   0.   0.5 ]]
spacegroup =  139
cell =  [[3.5108, 0, 0], [0, 3.5108, 0], [0, 0, 7.1658]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:57:36      -38.323564        1.4734
BFGS:    1 15:57:36      -38.406123        1.3231
BFGS:    2 15:57:36      -38.566931        0.9827
BFGS:    3 15:57:36      -38.680800        0.6649
BFGS:    4 15:57:36      -38.750911        0.3685
BFGS:    5 15:57:36      -38.780384        0.0927
BFGS:    6 15:57:36      -38.781826        0.0427
BFGS:    7 15:57:36      -38.781871        0.0452
BFGS:    8 15:57:36      -38.782113        0.0482
BFGS:    9 15:57:37      -38.782358        0.0388
BFGS:   10 15:57:37      -38.782563        0.0166
BFGS:   11 15:57:37      -38.782613        0.0044
BFGS:   12 15:57:37      -38.782617        0.0006
BFGS:   13 15:57:37      -38.782617        0.0001
BFGS:   14 15:57:37      -38.782617        0.0000
BFGS:   15 15:57:37      -38.782617        0.0000
BFGS:   16 15:57:37      -38.782617        0.0000
Minimization converged after 16 steps.
Maximum force component: 9.033236131894796e-31 eV/Angstrom
Maximum stress component: 6.04424101861385e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'Ni', 'V', 'V']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [0.00000000e+00 5.00000000e-01 2.50000000e-01]
 [5.00000000e-01 3.19286696e-34 2.50000000e-01]
 [2.28921782e-34 5.00000000e-01 7.50000000e-01]
 [5.00000000e-01 6.38573391e-34 7.50000000e-01]
 [2.83583553e-49 6.38573391e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[3.619186085973335, -8.027372659402631e-39, 1.2035855744813613e-34], [9.602442977061792e-38, 3.619186085973336, -3.196669927739361e-18], [-3.3421619114310865e-33, -6.5838088509455445e-18, 7.328631810943851]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-2.05976631e-64 -4.05758548e-49  4.51661807e-31]
 [ 4.11953261e-64  8.11517095e-49 -9.03323613e-31]
 [ 1.13287147e-64  2.23167201e-49 -2.48413994e-31]
 [-4.11953261e-65 -8.11517095e-50  9.03323613e-32]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [-6.04424102e-11 -6.04424102e-11  8.51898465e-12 -4.34234745e-27
 -4.64714949e-34  5.15937236e-50]
energy per atom =  -4.847827165474257
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0