element(s):
['C']
AFLOW prototype label:
A_hP4_194_bc
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:
['2.4677', '3.3769097']
model name:
Tersoff_LAMMPS_AlbeNordlundAverback_2002_PtC__MO_500121566391_004
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C']
representative atom coordinates =  [[0.         0.         0.25      ]
 [0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[2.4677, 0, 0], [-1.23385, 2.1370908889189, 0], [0, 0, 8.3332]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:30:25      -29.410232         1.299470
BFGS:    1 15:30:25      -29.451940         0.949450
BFGS:    2 15:30:25      -29.502207         0.071222
BFGS:    3 15:30:25      -29.502512         0.003969
BFGS:    4 15:30:25      -29.502513         0.000018
BFGS:    5 15:30:25      -29.502513         0.000000
Minimization converged after 5 steps.
Maximum force component: 1.2388314147313555e-30 eV/Angstrom
Maximum stress component: 4.128362024715338e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C']
basis =  [[0.00000000e+00 0.00000000e+00 2.50000000e-01]
 [3.84772362e-36 0.00000000e+00 7.50000000e-01]
 [3.33333333e-01 6.66666667e-01 2.50000000e-01]
 [6.66666667e-01 3.33333333e-01 7.50000000e-01]]
cellpar =  Cell([[2.512648618345263, -1.1204041761248615e-17, -7.013446906558763e-50], [-1.2563243091726315, 2.176017534270867, 1.2866100687756065e-40], [-2.691868428658028e-53, -4.674260668016654e-37, 8.333199999999998]])
forces =  [[ 8.25887610e-32 -3.68267939e-49 -2.30526420e-81]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-1.23883141e-30  4.29143790e-31  2.06089085e-67]
 [ 9.91065132e-31 -5.72191721e-31 -3.38318795e-71]]
stress =  [-4.12836202e-10 -4.12836202e-10  8.44499890e-53 -1.08759261e-32
 -1.25584377e-32 -1.55051765e-25]
energy per atom =  -7.375628139804151
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0