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:
EDIP_LAMMPS_LucasBertolusPizzagalli_2009_SiC__MO_634310164305_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 16:23:17      -16.072387         1.588312
BFGS:    1 16:23:17      -16.129022         3.003596
BFGS:    2 16:23:17      -16.364380         6.100488
BFGS:    3 16:23:17      -16.736819         8.241924
BFGS:    4 16:23:17      -17.167347         7.963462
BFGS:    5 16:23:17      -17.508237         3.905649
BFGS:    6 16:23:17      -17.600761         3.115046
BFGS:    7 16:23:17      -17.644455         0.824775
BFGS:    8 16:23:17      -17.668555         0.369940
BFGS:    9 16:23:17      -17.673734         0.187613
BFGS:   10 16:23:17      -17.673927         0.015153
BFGS:   11 16:23:17      -17.673927         0.000783
BFGS:   12 16:23:17      -17.673927         0.000005
BFGS:   13 16:23:17      -17.673927         0.000000
BFGS:   14 16:23:17      -17.673927         0.000000
Minimization converged after 14 steps.
Maximum force component: 1.7355106457543989e-31 eV/Angstrom
Maximum stress component: 8.274745134049129e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si']
basis =  [[0.   0.   0.  ]
 [0.5  0.5  0.5 ]
 [0.   0.5  0.25]
 [0.5  0.   0.75]]
cellpar =  Cell([[4.6933783718251645, -1.1246736561164581e-35, -2.8442403179637735e-38], [-9.705184306307518e-36, 4.6933783718251645, 1.2035367777472511e-18], [-6.36780931588678e-37, 6.968772899094869e-19, 2.813475848197464]])
forces =  [[ 1.15700710e-31  1.73551065e-31  4.45042084e-50]
 [ 2.89251774e-32  2.89251774e-32  7.41736806e-51]
 [ 2.89251774e-32 -1.07370947e-51 -4.33484591e-33]
 [ 5.78503549e-32 -2.89251774e-32 -7.41736806e-51]]
stress =  [ 4.37641585e-12  4.37641585e-12  8.27474513e-11 -6.44794853e-28
 -5.73950085e-48 -2.79092122e-65]
energy per atom =  -4.41848183399077
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0