element(s):
['Pt', '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:
['3.8804', '2.0266983']
model name:
MEAM_LAMMPS_KimSeolJi_2017_PtV__MO_912978207512_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Pt', 'Pt', 'V']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.   0.5  0.25]
 [0.   0.   0.5 ]]
spacegroup =  139
cell =  [[3.8804, 0, 0], [0, 3.8804, 0], [0, 0, 7.8644]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:35:00      -49.344274         0.916354
BFGS:    1 16:35:00      -49.359382         0.835035
BFGS:    2 16:35:00      -49.400338         0.519701
BFGS:    3 16:35:00      -49.416824         0.199407
BFGS:    4 16:35:00      -49.418841         0.212271
BFGS:    5 16:35:00      -49.423237         0.248269
BFGS:    6 16:35:00      -49.430521         0.234696
BFGS:    7 16:35:00      -49.436726         0.134573
BFGS:    8 16:35:00      -49.439104         0.057331
BFGS:    9 16:35:00      -49.439413         0.004057
BFGS:   10 16:35:00      -49.439415         0.000082
BFGS:   11 16:35:00      -49.439415         0.000004
BFGS:   12 16:35:00      -49.439415         0.000000
BFGS:   13 16:35:00      -49.439415         0.000000
Minimization converged after 13 steps.
Maximum force component: 4.713288454133729e-31 eV/Angstrom
Maximum stress component: 3.969438951951281e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Pt', 'Pt', 'Pt', 'Pt', 'Pt', 'Pt', '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 2.86110459e-17 2.50000000e-01]
 [0.00000000e+00 5.00000000e-01 7.50000000e-01]
 [5.00000000e-01 8.58331377e-17 7.50000000e-01]
 [0.00000000e+00 5.72220918e-17 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[3.8932331392406896, 6.373350845435932e-37, 7.560186462740015e-35], [-1.7759411961448069e-37, 3.893233139240689, 1.2144069630028344e-17], [-3.163007141701615e-32, -4.2063785477917487e-16, 7.647747760552198]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 9.59756068e-32 -1.43963410e-31  3.77063076e-31]
 [ 9.59756068e-32 -1.43963410e-31 -4.71328845e-31]
 [ 4.79878034e-32  9.59756068e-32 -2.53339254e-31]
 [ 4.79878034e-32  9.59756068e-32  4.71328845e-32]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [9.60103414e-12 9.60103414e-12 3.96943895e-11 2.97475966e-27
 2.06988633e-34 2.37991601e-50]
energy per atom =  -6.179926912799826
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0