element(s):
['Pt', 'Ti']
AFLOW prototype label:
AB3_cP8_223_a_c
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.14']
model name:
MEAM_LAMMPS_KimSeolJi_2017_PtTi__MO_280985530673_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Pt', 'Ti']
representative atom coordinates =  [[0.   0.   0.  ]
 [0.25 0.   0.5 ]]
spacegroup =  223
cell =  [[5.14, 0, 0], [0, 5.14, 0], [0, 0, 5.14]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 12:27:00      -45.954508         0.492611
BFGS:    1 12:27:00      -45.964473         0.451357
BFGS:    2 12:27:00      -46.009557         0.146205
BFGS:    3 12:27:00      -46.014565         0.007697
BFGS:    4 12:27:00      -46.014579         0.000122
BFGS:    5 12:27:00      -46.014579         0.000000
BFGS:    6 12:27:00      -46.014579         0.000000
Minimization converged after 6 steps.
Maximum force component: 8.363108059944386e-32 eV/Angstrom
Maximum stress component: 7.707620871913476e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Pt', 'Pt', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [2.50000000e-01 1.89235224e-35 5.00000000e-01]
 [7.50000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 2.50000000e-01 1.89235224e-35]
 [5.00000000e-01 7.50000000e-01 3.78470447e-35]
 [0.00000000e+00 5.00000000e-01 2.50000000e-01]
 [3.76158207e-37 5.00000000e-01 7.50000000e-01]]
cellpar =  Cell([[5.088719496941781, -9.427301188956853e-33, 2.3791722526414235e-33], [-2.643497016354295e-32, 5.088719496941781, -1.6799902448257304e-18], [1.729065404652134e-34, -1.6799902448257295e-18, 5.088719496941781]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-8.36310806e-32 -1.30673563e-33 -2.61347127e-33]
 [ 8.36310806e-32  5.22694254e-33 -2.61347127e-33]
 [-5.22694254e-33  4.31405803e-52 -1.30673563e-33]
 [-1.30673563e-33 -2.09077701e-32  5.22694254e-33]
 [-3.92020690e-33 -2.61347127e-33  4.18155403e-32]
 [ 3.92020690e-33 -2.61347127e-33 -4.18155403e-32]]
stress =  [-7.70762087e-14 -7.70762087e-14 -7.70762087e-14  8.35636510e-31
  2.37998072e-34 -4.93853132e-51]
energy per atom =  -5.751822341334354
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0