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_PtTi__MO_280985530673_001
==== 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 15:29:24      -23.049506         0.621904
BFGS:    1 15:29:24      -23.063896         0.456997
BFGS:    2 15:29:24      -23.079933         0.030351
BFGS:    3 15:29:25      -23.080000         0.001345
BFGS:    4 15:29:25      -23.080000         0.000004
BFGS:    5 15:29:25      -23.080000         0.000000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.019362910148568e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Pt', 'Pt', 'Pt', 'Pt']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [3.76621441e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[3.917371552421587, 2.099363558103049e-33, -6.260411553438334e-34], [2.03410087301393e-34, 3.917371552421587, -3.5229480177259106e-20], [3.1650984861055155e-33, -3.522948017724605e-20, 3.917371552421587]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-3.01936291e-11 -3.01936291e-11 -3.01936291e-11  1.38050183e-26
 -5.85676416e-35  6.38197771e-51]
energy per atom =  -5.770000000963474
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0