element(s):
['C']
AFLOW prototype label:
A_cP1_221_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['1.774']
model name:
Tersoff_LAMMPS_KinaciHaskinsSevik_2012_BNC__MO_105008013807_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0 0 0]]
spacegroup =  221
cell =  [[1.774, 0, 0], [0, 1.774, 0], [0, 0, 1.774]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:36:38       -4.221974         0.960101
BFGS:    1 16:36:38       -4.249627         0.396498
BFGS:    2 16:36:38       -4.252185         0.278716
BFGS:    3 16:36:38       -4.253584         0.037747
BFGS:    4 16:36:38       -4.253612         0.002175
BFGS:    5 16:36:38       -4.253612         0.000019
BFGS:    6 16:36:38       -4.253612         0.000000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.604704196997304e-09 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[1.8092772825373895, -4.5547573501858346e-33, -1.2749948987541343e-32], [1.979984160265507e-35, 1.8092772825373895, 1.8646195357462298e-19], [1.5947168818184478e-33, 1.8646195357460822e-19, 1.8092772825373895]])
forces =  [[0. 0. 0.]]
stress =  [-1.60470420e-09 -1.60470420e-09 -1.60470420e-09  4.16287550e-25
 -3.35914607e-43  2.98715659e-60]
energy per atom =  -4.253612214932874
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0