element(s):
['C', 'Pt']
AFLOW prototype label:
AB_cP2_221_a_b
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.7993']
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. ]
 [0.5 0.5 0.5]]
spacegroup =  221
cell =  [[2.7993, 0, 0], [0, 2.7993, 0], [0, 0, 2.7993]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 17:05:33       -8.735218         2.650725
BFGS:    1 17:05:33       -8.945038         1.101702
BFGS:    2 17:05:33       -8.996900         0.297976
BFGS:    3 17:05:34       -9.006355         0.305116
BFGS:    4 17:05:34       -8.828642         4.001630
BFGS:    5 17:05:34       -9.009377         0.257803
BFGS:    6 17:05:34       -9.011301         0.194551
BFGS:    7 17:05:34       -9.012373         0.150621
BFGS:    8 17:05:34       -9.013022         0.028612
BFGS:    9 17:05:34       -9.013050         0.003014
BFGS:   10 17:05:34       -9.013051         0.000075
BFGS:   11 17:05:34       -9.013051         0.000000
BFGS:   12 17:05:34       -9.013051         0.000000
Minimization converged after 12 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 9.605395269629014e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'Pt']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.9206291529299184, 1.0778648571255471e-32, 4.48939761927928e-33], [9.257648361988489e-33, 2.920629152929919, -1.649064941160373e-18], [-7.416568702157979e-33, -1.6490649411603624e-18, 2.9206291529299184]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-9.60539527e-13 -9.60539527e-13 -9.60539527e-13 -3.50746962e-29
  8.30107730e-61 -3.15572876e-61]
energy per atom =  -4.506525285820564
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0