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_002
==== 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 16:03:59     -107.360915         0.956555
BFGS:    1 16:03:59     -107.518901         0.718389
BFGS:    2 16:03:59     -107.723320         0.281290
BFGS:    3 16:03:59     -107.727244         0.268328
BFGS:    4 16:03:59     -107.743868         0.147917
BFGS:    5 16:03:59     -107.747706         0.085524
BFGS:    6 16:03:59     -107.749472         0.054634
BFGS:    7 16:03:59     -107.750625         0.053462
BFGS:    8 16:03:59     -107.751543         0.033841
BFGS:    9 16:03:59     -107.751780         0.034936
BFGS:   10 16:03:59     -107.751824         0.032207
BFGS:   11 16:03:59     -107.751857         0.029866
BFGS:   12 16:03:59     -107.751958         0.024106
BFGS:   13 16:03:59     -107.752152         0.019989
BFGS:   14 16:03:59     -107.752475         0.023295
BFGS:   15 16:03:59     -107.752766         0.016483
BFGS:   16 16:03:59     -107.752881         0.005310
BFGS:   17 16:03:59     -107.752896         0.000927
BFGS:   18 16:03:59     -107.752896         0.000064
BFGS:   19 16:03:59     -107.752896         0.000005
BFGS:   20 16:03:59     -107.752896         0.000000
BFGS:   21 16:03:59     -107.752896         0.000000
Minimization converged after 21 steps.
Maximum force component: 4.111968476003605e-09 eV/Angstrom
Maximum stress component: 4.560985384044833e-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 2.94191946e-34]
 [3.32883996e-01 3.32883996e-01 9.80639819e-35]
 [3.32883996e-01 6.67116004e-01 1.96127964e-34]
 [6.67116004e-01 3.32883996e-01 9.80639819e-35]
 [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 2.62722987e-36]
 [3.34005678e-01 2.11735722e-16 0.00000000e+00]
 [2.75506488e-39 6.65994322e-01 0.00000000e+00]
 [2.00201382e-38 3.34005678e-01 1.47095973e-34]
 [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]
 [4.44999015e-69 2.11735722e-16 6.53237344e-50]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]]
cellpar =  Cell([[8.335313168970131, -6.71386236076226e-37, 3.843966462003396e-33], [1.479859017051981e-36, 8.335313168970131, 3.0101995646312814e-18], [-6.6076065219854e-33, 1.402690537641662e-18, 3.9279048371598857]])
forces =  [[-1.82169162e-09 -1.82169162e-09 -6.57930754e-28]
 [ 1.82169162e-09  1.82169162e-09  6.57882339e-28]
 [ 1.82169162e-09 -1.82169162e-09 -6.57882339e-28]
 [-1.82169162e-09  1.82169162e-09  6.57930754e-28]
 [-1.82169162e-09 -1.82169162e-09 -6.57930754e-28]
 [ 1.82169162e-09  1.82169162e-09  6.57882339e-28]
 [ 1.82169162e-09 -1.82169162e-09 -6.57882339e-28]
 [-1.82169162e-09  1.82169162e-09  6.57930754e-28]
 [ 4.11196848e-09 -2.56851668e-32  1.89630174e-42]
 [-4.11196848e-09  2.56851668e-32  4.84151651e-32]
 [-3.21064585e-33  4.11196848e-09  1.48498868e-27]
 [-2.24745209e-32 -4.11196848e-09 -1.48498868e-27]
 [ 4.11196848e-09 -1.28425834e-32  1.89630174e-42]
 [-4.11196848e-09  1.28425834e-32  4.84151651e-32]
 [ 1.28425834e-32  4.11196848e-09  1.48498868e-27]
 [-1.28425834e-32 -4.11196848e-09 -1.48498868e-27]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [4.56098538e-10 4.56098538e-10 3.16867890e-10 1.33526225e-25
 3.52946488e-35 9.23268748e-51]
energy per atom =  -5.986272016043313
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0