element(s):
['C', 'Pt']
AFLOW prototype label:
AB_hP2_187_a_d
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.0042', '0.95496305']
model name:
Tersoff_LAMMPS_AlbeNordlundAverback_2002_PtC__MO_500121566391_004
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'Pt']
representative atom coordinates =  [[0.         0.         0.        ]
 [0.33333333 0.66666667 0.5       ]]
spacegroup =  187
cell =  [[3.0042, 0, 0], [-1.5021, 2.6017135180492, 0], [0, 0, 2.8689]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 11:38:19      -10.904506         2.806734
BFGS:    1 11:38:19      -11.026395         0.958029
BFGS:    2 11:38:19      -11.037470         0.289291
BFGS:    3 11:38:19      -11.041285         0.275037
BFGS:    4 11:38:19      -11.046070         0.062091
BFGS:    5 11:38:19      -11.046291         0.006530
BFGS:    6 11:38:19      -11.046293         0.001726
BFGS:    7 11:38:19      -11.046293         0.000275
BFGS:    8 11:38:19      -11.046293         0.000011
BFGS:    9 11:38:19      -11.046293         0.000000
BFGS:   10 11:38:19      -11.046293         0.000000
Minimization converged after 10 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 6.747263401080967e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'Pt']
basis =  [[0.         0.         0.        ]
 [0.33333333 0.66666667 0.5       ]]
cellpar =  Cell([[3.0187399917513247, 1.3326981486336192e-17, 7.533231660308537e-38], [-1.5093699958756623, 2.6143055202766736, 4.077669040156657e-37], [-4.644380332465305e-36, 1.8920714318985654e-35, 2.9982864794374673]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 3.57679655e-10  3.57679655e-10  6.74726340e-10 -5.24167076e-34
 -9.07884007e-34  1.08032899e-25]
energy per atom =  -5.523146674700502
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0