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:
Sim_LAMMPS_TersoffZBL_DevanathanDiazdelaRubiaWeber_1998_SiC__SM_578912636995_000
==== 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 15:31:50       -4.086100         2.338742
BFGS:    1 15:31:50       -4.149656         0.772367
BFGS:    2 15:31:50       -4.158449         0.177256
BFGS:    3 15:31:50       -4.158906         0.027948
BFGS:    4 15:31:50       -4.158924         0.007789
BFGS:    5 15:31:50       -4.158925         0.001395
BFGS:    6 15:31:50       -4.158925         0.000175
BFGS:    7 15:31:50       -4.158925         0.000010
BFGS:    8 15:31:50       -4.158925         0.000000
BFGS:    9 15:31:50       -4.158925         0.000000
Minimization converged after 9 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.861819773281417e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[2.6971069145142774, -1.850165776634078e-17, -1.5711287506462354e-36], [-1.3485534572571387, 2.335763104692029, 1.0297163446754217e-38], [-9.214038520102429e-37, -6.86542540653251e-36, 2.6146745546251506]])
forces =  [[0. 0. 0.]]
stress =  [-1.86181977e-10 -1.86181977e-10 -7.78417676e-11 -2.47051450e-46
 -1.82385256e-47  8.39869295e-26]
energy per atom =  -4.158925140083253
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0