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 16:34:25      -38.323564         1.473391
BFGS:    1 16:34:25      -38.406123         1.323075
BFGS:    2 16:34:25      -38.566931         0.982729
BFGS:    3 16:34:25      -38.680800         0.664873
BFGS:    4 16:34:25      -38.750911         0.368456
BFGS:    5 16:34:25      -38.780384         0.092675
BFGS:    6 16:34:25      -38.781826         0.042677
BFGS:    7 16:34:25      -38.781871         0.045249
BFGS:    8 16:34:25      -38.782113         0.048239
BFGS:    9 16:34:26      -38.782358         0.038810
BFGS:   10 16:34:26      -38.782563         0.016649
BFGS:   11 16:34:26      -38.782613         0.004354
BFGS:   12 16:34:26      -38.782617         0.000570
BFGS:   13 16:34:27      -38.782617         0.000066
BFGS:   14 16:34:27      -38.782617         0.000004
BFGS:   15 16:34:28      -38.782617         0.000000
BFGS:   16 16:34:28      -38.782617         0.000000
Minimization converged after 16 steps.
Maximum force component: 1.8066472263789601e-31 eV/Angstrom
Maximum stress component: 6.044117977496144e-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 1.06428899e-33 2.50000000e-01]
 [1.52674246e-33 5.00000000e-01 7.50000000e-01]
 [5.00000000e-01 0.00000000e+00 7.50000000e-01]
 [0.00000000e+00 4.25715594e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[3.6191860859733365, -1.0014718777336187e-36, -6.570068037733001e-35], [-3.178829127062413e-37, 3.6191860859733365, 9.081228188149e-18], [6.884436330725759e-33, 1.855225359212341e-17, 7.328631810943855]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 1.69712500e-64  2.23049563e-32  1.80664723e-31]
 [ 4.24325329e-65 -4.46099127e-32  4.51661807e-32]
 [-2.12103891e-65 -4.46099127e-32 -2.25830903e-32]
 [-1.06075455e-64  4.46099127e-32 -1.12915452e-31]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [-6.04411798e-11 -6.04411798e-11  8.52036384e-12  4.22432544e-27
  3.48536211e-34  4.06253527e-50]
energy per atom =  -4.847827165474258
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0