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_001
==== 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 16:35:04      -49.344274         0.916354
BFGS:    1 16:35:05      -49.359382         0.835035
BFGS:    2 16:35:05      -49.400338         0.519701
BFGS:    3 16:35:05      -49.416824         0.199407
BFGS:    4 16:35:05      -49.418841         0.212271
BFGS:    5 16:35:05      -49.423237         0.248269
BFGS:    6 16:35:05      -49.430521         0.234696
BFGS:    7 16:35:05      -49.436726         0.134573
BFGS:    8 16:35:06      -49.439104         0.057331
BFGS:    9 16:35:06      -49.439413         0.004057
BFGS:   10 16:35:06      -49.439415         0.000082
BFGS:   11 16:35:06      -49.439415         0.000004
BFGS:   12 16:35:06      -49.439415         0.000000
BFGS:   13 16:35:06      -49.439415         0.000000
Minimization converged after 13 steps.
Maximum force component: 3.770630763306985e-31 eV/Angstrom
Maximum stress component: 3.969613263932615e-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]
 [2.24985519e-34 5.00000000e-01 7.50000000e-01]
 [5.00000000e-01 8.58331377e-17 7.50000000e-01]
 [5.27243386e-49 5.72220918e-17 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[3.893233139240689, 2.8225540571668558e-37, 3.4817200549012705e-33], [3.2742120929573437e-38, 3.89323313924069, 1.8965580554140034e-17], [6.287044413680087e-33, -4.0687543909461315e-16, 7.647747760552202]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-9.68672568e-65  6.26890873e-48 -1.17832211e-31]
 [-3.09975222e-64  2.00605079e-47 -3.77063076e-31]
 [ 8.71805311e-65 -5.64201786e-48  1.06048990e-31]
 [-1.16240708e-64  7.52269048e-48 -1.41398654e-31]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [ 9.60190641e-12  9.60190641e-12  3.96961326e-11  2.20551168e-26
 -6.20965900e-34 -3.44705320e-49]
energy per atom =  -6.179926912799828
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0