element(s):
['C']
AFLOW prototype label:
A_cF8_227_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.5727']
model name:
Tersoff_LAMMPS_AlbeNordlundAverback_2002_PtC__MO_500121566391_004
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0 0 0]]
spacegroup =  227
cell =  [[3.5727, 0, 0], [0, 3.5727, 0], [0, 0, 3.5727]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:27:13      -58.575044        0.2115
BFGS:    1 17:27:13      -58.576875        0.1927
BFGS:    2 17:27:13      -58.585725        0.0039
BFGS:    3 17:27:13      -58.585729        0.0001
BFGS:    4 17:27:13      -58.585729        0.0000
BFGS:    5 17:27:13      -58.585729        0.0000
Minimization converged after 5 steps.
Maximum force component: 2.503257715290993e-31 eV/Angstrom
Maximum stress component: 2.792677194580341e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.00000000e+00 0.00000000e+00 5.81999738e-34]
 [1.02716264e-33 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 3.26280161e-34]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]]
cellpar =  Cell([[3.557752875330792, 5.684245514871014e-34, -4.6158179301511983e-35], [-7.218143125421097e-34, 3.557752875330792, 6.0397455108581834e-21], [2.658810720913911e-35, 6.03974551085818e-21, 3.557752875330792]])
forces =  [[ 5.11614716e-32 -2.72967241e-52 -1.60793196e-31]
 [-2.50325772e-31 -1.91855518e-31  5.48158624e-33]
 [-7.30878165e-33 -4.01982991e-32 -2.92351266e-32]
 [ 6.94334257e-32 -1.49830024e-31  3.65439083e-33]
 [ 3.65439083e-32  1.09631725e-31 -6.02974486e-32]
 [ 9.13597706e-32  2.55807358e-32  2.74079312e-33]
 [ 3.65439083e-33  7.30878165e-33  4.67076827e-32]
 [-3.65439083e-33  2.55807358e-32  4.34266065e-53]]
stress =  [-2.79267719e-14 -2.79267719e-14 -2.79267719e-14  1.16929666e-30
 -3.93451659e-65  2.65596472e-63]
energy per atom =  -7.323216063109695
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0