element(s):
['Pt']
AFLOW prototype label:
A_cF4_225_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.949']
model name:
MEAM_LAMMPS_KimSeolJi_2017_PtAl__MO_793141037706_002
==== Building ASE atoms object with: ====
representative atom symbols =  ['Pt']
representative atom coordinates =  [[0 0 0]]
spacegroup =  225
cell =  [[3.949, 0, 0], [0, 3.949, 0], [0, 0, 3.949]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:38:46      -23.049506         0.621903
BFGS:    1 15:38:47      -23.063896         0.456996
BFGS:    2 15:38:47      -23.079933         0.030348
BFGS:    3 15:38:47      -23.080000         0.001345
BFGS:    4 15:38:47      -23.080000         0.000004
BFGS:    5 15:38:47      -23.080000         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.031818461974644e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Pt', 'Pt', 'Pt', 'Pt']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 7.68184871e-37 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 7.68184871e-37]]
cellpar =  Cell([[3.9173715225712047, -3.2789746670017116e-32, 2.5789194570133207e-34], [-3.359680185962437e-32, 3.9173715225712047, 3.298544258843628e-20], [1.740524505367695e-33, 3.298544258843601e-20, 3.9173715225712047]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.03181846e-11 -3.03181846e-11 -3.03181846e-11 -2.61607028e-28
 -3.01205019e-34 -3.02237041e-51]
energy per atom =  -5.770000001945303
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0