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_002
==== 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 15:35:38      -38.323564         1.473391
BFGS:    1 15:35:38      -38.406123         1.323075
BFGS:    2 15:35:38      -38.566931         0.982729
BFGS:    3 15:35:38      -38.680800         0.664873
BFGS:    4 15:35:38      -38.750911         0.368456
BFGS:    5 15:35:38      -38.780384         0.092675
BFGS:    6 15:35:38      -38.781826         0.042677
BFGS:    7 15:35:38      -38.781871         0.045249
BFGS:    8 15:35:39      -38.782113         0.048239
BFGS:    9 15:35:39      -38.782358         0.038810
BFGS:   10 15:35:39      -38.782563         0.016649
BFGS:   11 15:35:39      -38.782613         0.004354
BFGS:   12 15:35:39      -38.782617         0.000570
BFGS:   13 15:35:39      -38.782617         0.000066
BFGS:   14 15:35:39      -38.782617         0.000004
BFGS:   15 15:35:39      -38.782617         0.000000
BFGS:   16 15:35:39      -38.782617         0.000000
Minimization converged after 16 steps.
Maximum force component: 2.484139936271038e-31 eV/Angstrom
Maximum stress component: 6.044216011361098e-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 6.38573391e-34 2.50000000e-01]
 [1.33089922e-34 5.00000000e-01 7.50000000e-01]
 [5.00000000e-01 1.70286238e-33 7.50000000e-01]
 [9.45278509e-50 1.27714678e-33 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[3.619186085973353, -5.390911382397439e-37, -5.183844144169845e-32], [-5.934060979732774e-37, 3.619186085973352, 1.0833370981644475e-17], [3.8495820775776846e-33, 2.2383761743586275e-17, 7.32863181094376]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 9.48999822e-65 -2.78811954e-33  1.80664723e-31]
 [ 1.18624863e-64 -2.78811954e-33  2.25830903e-31]
 [-5.93076317e-66 -2.78811954e-33 -1.12915452e-32]
 [ 1.30488790e-64 -1.18495081e-32  2.48413994e-31]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [-6.04421601e-11 -6.04421601e-11  8.51970062e-12 -7.73388326e-27
  2.22373364e-34  1.50593254e-49]
energy per atom =  -4.847827165474262
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0