element(s):
['Pt', 'V']
AFLOW prototype label:
AB_oP4_51_e_f
Parameter names:
['a', 'b/a', 'c/a', 'z1', 'z2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.5244', '0.61782778', '1.0656441', '0.68098834', '0.18264711']
model name:
MEAM_LAMMPS_KimSeolJi_2017_PtV__MO_912978207512_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Pt', 'V']
representative atom coordinates =  [[0.25       0.         0.68098834]
 [0.25       0.5        0.18264711]]
spacegroup =  51
cell =  [[4.5244, 0, 0], [0, 2.7953, 0], [0, 0, 4.8214]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 12:08:15      -23.993274         2.552997
BFGS:    1 12:08:15      -24.225956         1.410704
BFGS:    2 12:08:15      -24.340754         0.883457
BFGS:    3 12:08:15      -24.387209         0.426591
BFGS:    4 12:08:15      -24.392222         0.339502
BFGS:    5 12:08:15      -24.400309         0.144465
BFGS:    6 12:08:15      -24.401128         0.132469
BFGS:    7 12:08:15      -24.403139         0.065430
BFGS:    8 12:08:15      -24.403317         0.020640
BFGS:    9 12:08:15      -24.403350         0.021650
BFGS:   10 12:08:15      -24.403392         0.016757
BFGS:   11 12:08:15      -24.403421         0.010665
BFGS:   12 12:08:15      -24.403428         0.003828
BFGS:   13 12:08:15      -24.403429         0.000687
BFGS:   14 12:08:15      -24.403429         0.000535
BFGS:   15 12:08:15      -24.403429         0.000425
BFGS:   16 12:08:15      -24.403429         0.000188
BFGS:   17 12:08:15      -24.403429         0.000050
BFGS:   18 12:08:15      -24.403429         0.000006
BFGS:   19 12:08:15      -24.403429         0.000001
BFGS:   20 12:08:15      -24.403429         0.000000
BFGS:   21 12:08:15      -24.403429         0.000000
Minimization converged after 21 steps.
Maximum force component: 5.830984358551339e-10 eV/Angstrom
Maximum stress component: 1.0346606967500762e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Pt', 'Pt', 'V', 'V']
basis =  [[2.50000000e-01 0.00000000e+00 6.72664473e-01]
 [7.50000000e-01 3.36202412e-35 3.27335527e-01]
 [2.50000000e-01 5.00000000e-01 1.77593164e-01]
 [7.50000000e-01 5.00000000e-01 8.22406836e-01]]
cellpar =  Cell([[4.426411954974939, 3.7914569196793557e-38, 0.0], [1.6082269284430703e-35, 2.726062712355306, 0.0], [0.0, 0.0, 4.654102973280268]])
forces =  [[ 0.00000000e+00  0.00000000e+00  5.83098436e-10]
 [ 0.00000000e+00  0.00000000e+00 -5.83098436e-10]
 [ 0.00000000e+00  0.00000000e+00  9.71476007e-11]
 [ 0.00000000e+00  0.00000000e+00 -9.71476007e-11]]
stress =  [-6.47971152e-11  1.03466070e-10 -4.24344188e-11  0.00000000e+00
  0.00000000e+00  6.13781418e-46]
energy per atom =  -6.100857155929924
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0