element(s):
['Pt', 'V']
AFLOW prototype label:
A8B_tI18_139_hi_a
Parameter names:
['a', 'c/a', 'x2', 'x3']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['8.3759', '0.46774675', '0.33718069', '0.32945211']
model name:
MEAM_LAMMPS_KimSeolJi_2017_PtV__MO_912978207512_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Pt', 'Pt', 'V']
representative atom coordinates =  [[0.33718069 0.33718069 0.        ]
 [0.32945211 0.         0.        ]
 [0.         0.         0.        ]]
spacegroup =  139
cell =  [[8.3759, 0, 0], [0, 8.3759, 0], [0, 0, 3.9178]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:03:36     -107.249779         0.792947
BFGS:    1 16:03:36     -107.334522         0.759966
BFGS:    2 16:03:36     -107.501545         0.552391
BFGS:    3 16:03:36     -107.516908         0.481897
BFGS:    4 16:03:36     -107.554757         0.287478
BFGS:    5 16:03:36     -107.585821         0.164100
BFGS:    6 16:03:36     -107.597787         0.134255
BFGS:    7 16:03:36     -107.598921         0.118717
BFGS:    8 16:03:36     -107.599323         0.105293
BFGS:    9 16:03:36     -107.599993         0.088660
BFGS:   10 16:03:36     -107.601268         0.066561
BFGS:   11 16:03:36     -107.602993         0.076110
BFGS:   12 16:03:36     -107.604898         0.080928
BFGS:   13 16:03:36     -107.606739         0.065335
BFGS:   14 16:03:36     -107.608450         0.065851
BFGS:   15 16:03:36     -107.609635         0.040023
BFGS:   16 16:03:36     -107.610081         0.011394
BFGS:   17 16:03:36     -107.610149         0.003231
BFGS:   18 16:03:36     -107.610152         0.000454
BFGS:   19 16:03:36     -107.610152         0.000051
BFGS:   20 16:03:37     -107.610152         0.000003
BFGS:   21 16:03:37     -107.610152         0.000000
BFGS:   22 16:03:37     -107.610152         0.000000
BFGS:   23 16:03:37     -107.610152         0.000000
Minimization converged after 23 steps.
Maximum force component: 1.110438323703636e-09 eV/Angstrom
Maximum stress component: 5.4073017838534665e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Pt', 'Pt', 'Pt', 'Pt', 'Pt', 'Pt', 'Pt', 'Pt', 'Pt', 'Pt', 'Pt', 'Pt', 'Pt', 'Pt', 'Pt', 'Pt', 'V', 'V']
basis =  [[3.34664242e-01 3.34664242e-01 0.00000000e+00]
 [6.65335758e-01 6.65335758e-01 1.96380165e-34]
 [6.65335758e-01 3.34664242e-01 1.47285124e-34]
 [3.34664242e-01 6.65335758e-01 0.00000000e+00]
 [8.34664242e-01 8.34664242e-01 5.00000000e-01]
 [1.65335758e-01 1.65335758e-01 5.00000000e-01]
 [1.65335758e-01 8.34664242e-01 5.00000000e-01]
 [8.34664242e-01 1.65335758e-01 5.00000000e-01]
 [3.33134813e-01 0.00000000e+00 0.00000000e+00]
 [6.66865187e-01 0.00000000e+00 0.00000000e+00]
 [1.05831161e-36 3.33134813e-01 0.00000000e+00]
 [9.16886242e-37 6.66865187e-01 2.94570248e-34]
 [8.33134813e-01 5.00000000e-01 5.00000000e-01]
 [1.66865187e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 8.33134813e-01 5.00000000e-01]
 [5.00000000e-01 1.66865187e-01 5.00000000e-01]
 [0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]]
cellpar =  Cell([[8.250541532866087, 1.18633196331877e-36, -4.0691377535126557e-32], [-1.1842051589021427e-36, 8.250541532866098, -3.1658911359741496e-18], [9.024888362952512e-33, -1.4457903919745696e-18, 3.9228604197029626]])
forces =  [[ 2.69020919e-10  2.69020919e-10 -1.03240578e-28]
 [-2.69020919e-10 -2.69020919e-10  1.03252666e-28]
 [-2.69020919e-10  2.69020919e-10 -1.03252666e-28]
 [ 2.69020919e-10 -2.69020919e-10  1.03240578e-28]
 [ 2.69020919e-10  2.69020919e-10 -1.03204313e-28]
 [-2.69020919e-10 -2.69020919e-10  1.03252666e-28]
 [-2.69020919e-10  2.69020919e-10 -1.03252666e-28]
 [ 2.69020919e-10 -2.69020919e-10  1.03204313e-28]
 [-1.11043832e-09 -1.59668123e-46  5.47664234e-42]
 [ 1.11043832e-09 -2.54239440e-32 -5.47664233e-42]
 [-8.89838040e-32 -1.11043832e-09  4.26072321e-28]
 [-2.54239440e-32  1.11043832e-09 -4.26072321e-28]
 [-1.11043832e-09 -1.59668123e-46  5.47664234e-42]
 [ 1.11043832e-09  1.59668123e-46 -5.47664234e-42]
 [-1.01695776e-31 -1.11043832e-09  4.26084409e-28]
 [-5.08478880e-32  1.11043832e-09 -4.26084409e-28]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [-5.40730178e-11 -5.40730178e-11 -2.82248690e-11 -2.38319421e-26
  1.09720252e-43  8.18179304e-60]
energy per atom =  -5.9783417911101715
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0