element(s):
['Si']
AFLOW prototype label:
A_hP1_191_a
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:
['2.6513', '0.93471127']
model name:
Tersoff_LAMMPS_Tersoff_1988T3_Si__MO_186459956893_004
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si']
representative atom coordinates =  [[0 0 0]]
spacegroup =  191
cell =  [[2.6513, 0, 0], [-1.32565, 2.2960931530537, 0], [0, 0, 2.4782]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:31:52       -4.094984         1.919646
BFGS:    1 15:31:52       -4.150028         0.774391
BFGS:    2 15:31:52       -4.158766         0.350982
BFGS:    3 15:31:52       -4.160209         0.066277
BFGS:    4 15:31:52       -4.160274         0.042541
BFGS:    5 15:31:52       -4.160316         0.006991
BFGS:    6 15:31:52       -4.160318         0.001693
BFGS:    7 15:31:52       -4.160318         0.000076
BFGS:    8 15:31:52       -4.160318         0.000004
BFGS:    9 15:31:52       -4.160318         0.000000
BFGS:   10 15:31:52       -4.160318         0.000000
Minimization converged after 10 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 6.83252168891437e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[2.6991018022052864, -2.539224099783784e-18, 1.222277372577364e-38], [-1.3495509011026432, 2.3374907281101382, 8.61023533677217e-38], [4.6681152445023394e-38, -2.1480571950755575e-36, 2.6093781347062204]])
forces =  [[0. 0. 0.]]
stress =  [ 6.83252169e-11  6.83252169e-11 -6.61104958e-11  1.40832883e-46
  2.74754381e-47 -3.45429568e-26]
energy per atom =  -4.160317736267826
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0