element(s):
['C']
AFLOW prototype label:
A_cI8_214_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.1243']
model name:
Sim_LAMMPS_TersoffZBL_DevanathanDiazdelaRubiaWeber_1998_SiC__SM_578912636995_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.125 0.125 0.125]]
spacegroup =  214
cell =  [[4.1243, 0, 0], [0, 4.1243, 0], [0, 0, 4.1243]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:35:19      -40.501923         2.719244
BFGS:    1 16:35:19      -40.804170         2.469407
BFGS:    2 16:35:19      -41.151309         2.161657
BFGS:    3 16:35:19      -41.453413         1.868837
BFGS:    4 16:35:19      -41.712674         1.590304
BFGS:    5 16:35:19      -41.931188         1.325447
BFGS:    6 16:35:19      -42.110963         1.073684
BFGS:    7 16:35:19      -42.253921         0.834461
BFGS:    8 16:35:19      -42.361902         0.607249
BFGS:    9 16:35:19      -42.436671         0.391543
BFGS:   10 16:35:19      -42.479916         0.186862
BFGS:   11 16:35:19      -42.493245         0.009236
BFGS:   12 16:35:19      -42.493278         0.000234
BFGS:   13 16:35:19      -42.493278         0.000000
BFGS:   14 16:35:19      -42.493278         0.000000
Minimization converged after 14 steps.
Maximum force component: 6.01246811828729e-31 eV/Angstrom
Maximum stress component: 1.0142606211494667e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.125 0.125 0.125]
 [0.375 0.875 0.625]
 [0.875 0.625 0.375]
 [0.625 0.375 0.875]
 [0.875 0.375 0.125]
 [0.625 0.625 0.625]
 [0.375 0.125 0.875]
 [0.125 0.875 0.375]]
cellpar =  Cell([[4.401107047362392, -1.291152013249781e-32, 9.460469321589226e-34], [2.8273012979897095e-34, 4.401107047362392, 2.731549582990247e-18], [-5.606689637656217e-34, 2.7315495829902435e-18, 4.401107047362392]])
forces =  [[ 1.13016318e-31  7.23304435e-32  5.42478326e-32]
 [ 1.08495665e-31  4.33982661e-31  1.44660887e-31]
 [-7.23304435e-32  7.23486122e-32  2.71239163e-31]
 [-6.01246812e-31  3.07404385e-31  1.67264151e-31]
 [ 3.39048954e-31 -3.61652218e-32  1.44660887e-31]
 [-7.23304435e-32  7.23304435e-32  4.48919308e-50]
 [-1.49181540e-31  3.61652218e-32  2.16991331e-31]
 [-5.06313105e-31  2.07950025e-31  2.53156552e-31]]
stress =  [-1.01426062e-12 -1.01426062e-12 -1.01426062e-12  9.24071439e-30
 -8.48467736e-34  1.47289330e-52]
energy per atom =  -5.311659793617385
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0