element(s):
['Si']
AFLOW prototype label:
A_hP4_194_f
Parameter names:
['a', 'c/a', 'z1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.8496', '1.6527431', '0.56294015']
model name:
Sim_LAMMPS_EDIP_LucasBertolusPizzagalli_2009_SiC__SM_435704953434_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si']
representative atom coordinates =  [[0.33333333 0.66666667 0.56294015]]
spacegroup =  194
cell =  [[3.8496, 0, 0], [-1.9248, 3.3338513944086, 0], [0, 0, 6.3624]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:23:51      -18.572315         0.475961
BFGS:    1 16:23:51      -18.576934         0.377179
BFGS:    2 16:23:51      -18.585279         0.142744
BFGS:    3 16:23:51      -18.587026         0.121702
BFGS:    4 16:23:51      -18.588082         0.040985
BFGS:    5 16:23:51      -18.588239         0.044064
BFGS:    6 16:23:51      -18.588382         0.043062
BFGS:    7 16:23:51      -18.588589         0.045809
BFGS:    8 16:23:51      -18.588797         0.033863
BFGS:    9 16:23:51      -18.588880         0.014711
BFGS:   10 16:23:51      -18.588893         0.002422
BFGS:   11 16:23:51      -18.588893         0.000154
BFGS:   12 16:23:51      -18.588893         0.000014
BFGS:   13 16:23:51      -18.588893         0.000001
BFGS:   14 16:23:51      -18.588893         0.000000
Minimization converged after 14 steps.
Maximum force component: 9.236457924226664e-09 eV/Angstrom
Maximum stress component: 7.669717791179281e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si']
basis =  [[0.33333333 0.66666667 0.5625    ]
 [0.66666666 0.33333334 0.0625    ]
 [0.66666666 0.33333334 0.4375    ]
 [0.33333333 0.66666667 0.9375    ]]
cellpar =  Cell([[3.836374192088697, 2.5988305352730735e-18, -1.668034243949065e-37], [-1.9181870960443486, 3.322397508771813, -4.21910841799497e-37], [-6.89720865376721e-37, 1.1494821856119943e-36, 6.264772824175487]])
forces =  [[ 1.89147851e-31  1.09204563e-31 -9.23645792e-09]
 [-5.67443553e-31 -3.27613688e-31 -9.23645792e-09]
 [ 3.13276128e-31 -1.05791920e-31  9.23645792e-09]
 [ 1.07183782e-30 -5.46022814e-31  9.23645792e-09]]
stress =  [ 7.66971779e-11  7.66971779e-11  1.56682964e-12  2.36877348e-33
  9.86553300e-48 -7.73968470e-27]
energy per atom =  -4.647223337947562
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0