element(s):
['Si']
AFLOW prototype label:
A_tI4_141_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:
['4.8146', '0.54949529']
model name:
Sim_LAMMPS_EDIP_LucasBertolusPizzagalli_2009_SiC__SM_435704953434_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si']
representative atom coordinates =  [[0 0 0]]
spacegroup =  141
cell =  [[4.8146, 0, 0], [0, 4.8146, 0], [0, 0, 2.6456]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:14:08      -16.072387        1.5883
BFGS:    1 17:14:08      -16.129022        3.0036
BFGS:    2 17:14:08      -16.364380        6.1005
BFGS:    3 17:14:08      -16.736819        8.2419
BFGS:    4 17:14:08      -17.167347        7.9635
BFGS:    5 17:14:08      -17.508237        3.9056
BFGS:    6 17:14:08      -17.600761        3.1150
BFGS:    7 17:14:08      -17.644455        0.8248
BFGS:    8 17:14:08      -17.668555        0.3699
BFGS:    9 17:14:08      -17.673734        0.1876
BFGS:   10 17:14:08      -17.673927        0.0152
BFGS:   11 17:14:08      -17.673927        0.0008
BFGS:   12 17:14:08      -17.673927        0.0000
BFGS:   13 17:14:08      -17.673927        0.0000
BFGS:   14 17:14:08      -17.673927        0.0000
Minimization converged after 14 steps.
Maximum force component: 3.7602730658011987e-31 eV/Angstrom
Maximum stress component: 8.27483044202639e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si']
basis =  [[0.00000000e+00 0.00000000e+00 3.66793854e-33]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [0.00000000e+00 5.00000000e-01 2.50000000e-01]
 [5.00000000e-01 0.00000000e+00 7.50000000e-01]]
cellpar =  Cell([[4.6933783718251645, 2.6904619491910396e-35, 6.600618867663206e-39], [1.9219633216424544e-35, 4.693378371825165, -3.135362209135871e-19], [1.4825924602246006e-37, -1.3302522647478781e-19, 2.813475848197464]])
forces =  [[-5.78503549e-32 -3.31625039e-67 -8.13589090e-71]
 [ 5.78503549e-32 -3.18176952e-31  3.46787673e-32]
 [-1.44625887e-32 -3.76027307e-31  2.51201099e-50]
 [ 1.01238121e-31 -2.89251774e-32 -3.46787673e-32]]
stress =  [ 4.37687048e-12  4.37687048e-12  8.27483044e-11  4.01424779e-29
 -2.33362844e-34 -1.11408019e-52]
energy per atom =  -4.418481833990769
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0