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:
MEAM_LAMMPS_MaiselKoZhang_2017_VNiTi__MO_744610363128_001
==== 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 15:29:37      -38.323564         1.473391
BFGS:    1 15:29:37      -38.406123         1.323075
BFGS:    2 15:29:38      -38.566931         0.982729
BFGS:    3 15:29:38      -38.680800         0.664873
BFGS:    4 15:29:38      -38.750911         0.368456
BFGS:    5 15:29:38      -38.780384         0.092675
BFGS:    6 15:29:38      -38.781826         0.042677
BFGS:    7 15:29:38      -38.781871         0.045249
BFGS:    8 15:29:38      -38.782113         0.048239
BFGS:    9 15:29:38      -38.782358         0.038810
BFGS:   10 15:29:38      -38.782563         0.016649
BFGS:   11 15:29:38      -38.782613         0.004354
BFGS:   12 15:29:38      -38.782617         0.000570
BFGS:   13 15:29:38      -38.782617         0.000066
BFGS:   14 15:29:39      -38.782617         0.000004
BFGS:   15 15:29:39      -38.782617         0.000000
BFGS:   16 15:29:39      -38.782617         0.000000
Minimization converged after 16 steps.
Maximum force component: 2.258309032973672e-31 eV/Angstrom
Maximum stress component: 6.044166698837122e-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]
 [2.58603017e-37 5.00000000e-01 2.50000000e-01]
 [5.00000000e-01 2.12857797e-34 2.50000000e-01]
 [3.76146713e-37 5.00000000e-01 7.50000000e-01]
 [5.00000000e-01 1.27714678e-33 7.50000000e-01]
 [0.00000000e+00 4.25715594e-34 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[3.6191860859733525, -2.518157206078445e-37, -1.685642795440121e-32], [-3.3028480377589616e-37, 3.619186085973353, 4.352811425564661e-18], [-1.3308556522455434e-35, 8.93323505540476e-18, 7.3286318109437625]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 1.84545702e-67 -1.23874451e-49 -1.01623906e-31]
 [ 4.07557139e-67  2.78811954e-32 -2.25830903e-31]
 [ 1.83527934e-67  1.11524782e-32 -1.01623906e-31]
 [ 5.63515382e-69 -5.57623909e-33 -2.82288629e-33]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [-6.04416670e-11 -6.04416670e-11  8.52048708e-12  3.86650146e-27
 -1.73204959e-46 -7.94737888e-62]
energy per atom =  -4.847827165474261
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0