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:
Tersoff_LAMMPS_AlbeNordlundAverback_2002_PtC__MO_500121566391_004
==== 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 17:14:26      -23.049162        0.6124
BFGS:    1 17:14:27      -23.063140        0.4520
BFGS:    2 17:14:27      -23.079078        0.0278
BFGS:    3 17:14:27      -23.079135        0.0012
BFGS:    4 17:14:27      -23.079135        0.0000
BFGS:    5 17:14:27      -23.079135        0.0000
Minimization converged after 5 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.837423588008399e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Pt', 'Pt', 'Pt', 'Pt']
basis =  [[0.0000000e+00 0.0000000e+00 0.0000000e+00]
 [0.0000000e+00 5.0000000e-01 5.0000000e-01]
 [5.0000000e-01 4.8011376e-38 5.0000000e-01]
 [5.0000000e-01 5.0000000e-01 0.0000000e+00]]
cellpar =  Cell([[3.917386081907648, 3.7233597026355406e-32, -3.374538072736319e-33], [3.0809339405640685e-32, 3.917386081907648, 2.540920816967018e-21], [5.078364192811708e-34, 2.540920816966623e-21, 3.917386081907648]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.83742359e-11 -1.83742359e-11 -1.83742359e-11 -3.55643770e-28
  6.69339510e-35  5.79652490e-52]
energy per atom =  -5.769783708854281
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0