element(s):
['Pt', 'Ti']
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:
['8.3895', '0.46865725', '0.66233709', '0.6706825']
model name:
MEAM_LAMMPS_KimSeolJi_2017_PtTi__MO_280985530673_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Pt', 'Pt', 'Ti']
representative atom coordinates =  [[0.66233709 0.66233709 0.        ]
 [0.6706825  0.         0.        ]
 [0.         0.         0.        ]]
spacegroup =  139
cell =  [[8.3895, 0, 0], [0, 8.3895, 0], [0, 0, 3.9318]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 11:31:13     -107.360915         0.956555
BFGS:    1 11:31:13     -107.518901         0.718389
BFGS:    2 11:31:13     -107.723320         0.281290
BFGS:    3 11:31:13     -107.727244         0.268328
BFGS:    4 11:31:13     -107.743868         0.147917
BFGS:    5 11:31:13     -107.747706         0.085524
BFGS:    6 11:31:13     -107.749472         0.054634
BFGS:    7 11:31:13     -107.750625         0.053462
BFGS:    8 11:31:13     -107.751543         0.033841
BFGS:    9 11:31:13     -107.751780         0.034936
BFGS:   10 11:31:13     -107.751824         0.032207
BFGS:   11 11:31:13     -107.751857         0.029866
BFGS:   12 11:31:13     -107.751958         0.024106
BFGS:   13 11:31:13     -107.752152         0.019989
BFGS:   14 11:31:13     -107.752475         0.023295
BFGS:   15 11:31:13     -107.752766         0.016483
BFGS:   16 11:31:13     -107.752881         0.005310
BFGS:   17 11:31:13     -107.752896         0.000927
BFGS:   18 11:31:13     -107.752896         0.000064
BFGS:   19 11:31:13     -107.752896         0.000005
BFGS:   20 11:31:13     -107.752896         0.000000
BFGS:   21 11:31:13     -107.752896         0.000000
Minimization converged after 21 steps.
Maximum force component: 4.111967539686609e-09 eV/Angstrom
Maximum stress component: 4.5610016223823064e-10 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', 'Ti', 'Ti']
basis =  [[6.67116004e-01 6.67116004e-01 1.96127964e-34]
 [3.32883996e-01 3.32883996e-01 0.00000000e+00]
 [3.32883996e-01 6.67116004e-01 1.47095973e-34]
 [6.67116004e-01 3.32883996e-01 0.00000000e+00]
 [1.67116004e-01 1.67116004e-01 5.00000000e-01]
 [8.32883996e-01 8.32883996e-01 5.00000000e-01]
 [8.32883996e-01 1.67116004e-01 5.00000000e-01]
 [1.67116004e-01 8.32883996e-01 5.00000000e-01]
 [6.65994322e-01 2.11735722e-16 7.52316385e-37]
 [3.34005678e-01 2.11735722e-16 0.00000000e+00]
 [0.00000000e+00 6.65994322e-01 4.90319910e-35]
 [0.00000000e+00 3.34005678e-01 9.80639819e-35]
 [1.65994322e-01 5.00000000e-01 5.00000000e-01]
 [8.34005678e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.65994322e-01 5.00000000e-01]
 [5.00000000e-01 8.34005678e-01 5.00000000e-01]
 [0.00000000e+00 2.11735722e-16 4.35491562e-50]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]]
cellpar =  Cell([[8.335313168970131, 3.301156195033692e-36, 3.465161689655895e-33], [1.3479407795431547e-36, 8.335313168970131, -1.998384537147156e-18], [-3.0291632105314774e-32, -9.324932891602437e-19, 3.9279048371598897]])
forces =  [[-1.82169715e-09 -1.82169715e-09  4.36847236e-28]
 [ 1.82169715e-09  1.82169715e-09 -4.36701991e-28]
 [ 1.82169715e-09 -1.82169715e-09  4.36701991e-28]
 [-1.82169715e-09  1.82169715e-09 -4.36847236e-28]
 [-1.82169715e-09 -1.82169715e-09  4.36847236e-28]
 [ 1.82169715e-09  1.82169715e-09 -4.36750406e-28]
 [ 1.82169715e-09 -1.82169715e-09  4.36653576e-28]
 [-1.82169715e-09  1.82169715e-09 -4.36798821e-28]
 [ 4.11196754e-09  3.21064585e-32  1.70942975e-42]
 [-4.11196754e-09 -1.28425834e-32  9.68303302e-32]
 [ 6.64964665e-46  4.11196754e-09 -9.85840865e-28]
 [-1.28425834e-32 -4.11196754e-09  9.85840865e-28]
 [ 4.11196754e-09  9.63193754e-33 -4.84151651e-32]
 [-4.11196754e-09 -1.28425834e-32  9.68303302e-32]
 [ 6.64964665e-46  4.11196754e-09 -9.85840865e-28]
 [-5.13703335e-32 -4.11196754e-09  9.85840865e-28]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [4.56100162e-10 4.56100162e-10 3.16870108e-10 1.74671415e-25
 1.11766389e-34 5.84736878e-51]
energy per atom =  -5.986272016043309
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0