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_JiangMorganSzlufarska_2012_SiC__MO_667792548433_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 20:02:08      -16.072387         1.588312
BFGS:    1 20:02:08      -16.129022         3.003596
BFGS:    2 20:02:08      -16.364380         6.100488
BFGS:    3 20:02:08      -16.736819         8.241924
BFGS:    4 20:02:08      -17.167347         7.963462
BFGS:    5 20:02:08      -17.508237         3.905649
BFGS:    6 20:02:08      -17.600761         3.115046
BFGS:    7 20:02:08      -17.644455         0.824775
BFGS:    8 20:02:08      -17.668555         0.369940
BFGS:    9 20:02:08      -17.673734         0.187613
BFGS:   10 20:02:08      -17.673927         0.015153
BFGS:   11 20:02:08      -17.673927         0.000783
BFGS:   12 20:02:08      -17.673927         0.000005
BFGS:   13 20:02:08      -17.673927         0.000000
BFGS:   14 20:02:09      -17.673927         0.000000
Minimization converged after 14 steps.
Maximum force component: 1.3016329843157991e-31 eV/Angstrom
Maximum stress component: 8.273927891096826e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si']
basis =  [[1.61754679e-34 1.03312847e-33 2.54130167e-33]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [1.45353879e-33 5.00000000e-01 2.50000000e-01]
 [5.00000000e-01 0.00000000e+00 7.50000000e-01]]
cellpar =  Cell([[4.693378371825164, -1.348845073536951e-35, -2.844240317963782e-38], [-1.0161175096152705e-35, 4.6933783718251645, 8.335452099036454e-19], [-6.367809315886779e-37, 4.779031509349209e-19, 2.8134758481974638]])
forces =  [[-5.78503549e-32 -1.30163298e-31 -2.31170354e-50]
 [ 8.67755323e-32  2.89251774e-32  1.30045377e-32]
 [ 5.78503549e-32  8.67755323e-32 -3.46787673e-32]
 [ 5.78503549e-32 -5.78503549e-32 -3.46787673e-32]]
stress =  [ 4.37589089e-12  4.37589089e-12  8.27392789e-11  6.84061234e-28
 -5.73895498e-48 -1.17004025e-63]
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