element(s):
['C']
AFLOW prototype label:
A_tI8_139_h
Parameter names:
['a', 'c/a', 'x1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.3798', '0.57333668', '0.81976373']
model name:
Tersoff_LAMMPS_ErhartAlbe_2005_SiC__MO_903987585848_005
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.81976373 0.81976373 0.        ]]
spacegroup =  139
cell =  [[4.3798, 0, 0], [0, 4.3798, 0], [0, 0, 2.5111]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:17:39      -55.278310        1.9422
BFGS:    1 17:17:39      -55.273124        2.0751
BFGS:    2 17:17:39      -55.392701        0.5534
BFGS:    3 17:17:39      -55.397242        0.4983
BFGS:    4 17:17:39      -55.414989        0.1795
BFGS:    5 17:17:39      -55.417714        0.0054
BFGS:    6 17:17:39      -55.417717        0.0002
BFGS:    7 17:17:39      -55.417717        0.0001
BFGS:    8 17:17:39      -55.417717        0.0001
BFGS:    9 17:17:39      -55.417717        0.0001
BFGS:   10 17:17:39      -55.417717        0.0001
BFGS:   11 17:17:39      -55.417717        0.0000
BFGS:   12 17:17:39      -55.417717        0.0000
BFGS:   13 17:17:39      -55.417717        0.0000
BFGS:   14 17:17:39      -55.417717        0.0000
Minimization converged after 14 steps.
Maximum force component: 2.0871515467746725e-09 eV/Angstrom
Maximum stress component: 2.1538694493544732e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[8.17431599e-01 8.17431599e-01 5.45400080e-33]
 [1.82568401e-01 1.82568401e-01 9.09000133e-34]
 [1.82568401e-01 8.17431599e-01 6.06000089e-33]
 [8.17431599e-01 1.82568401e-01 9.09000133e-34]
 [3.17431599e-01 3.17431599e-01 5.00000000e-01]
 [6.82568401e-01 6.82568401e-01 5.00000000e-01]
 [6.82568401e-01 3.17431599e-01 5.00000000e-01]
 [3.17431599e-01 6.82568401e-01 5.00000000e-01]]
cellpar =  Cell([[4.388740378668752, 1.6469466096654282e-35, 2.4239878033816988e-33], [-1.6512492976760541e-35, 4.388740378668751, 1.5850872612984324e-17], [5.246491042504364e-34, 9.075532558042468e-18, 2.5424814015748236]])
forces =  [[ 2.08715155e-09  2.08715155e-09  7.53820896e-27]
 [-2.08715155e-09 -2.08715155e-09 -7.53828731e-27]
 [-2.08715155e-09  2.08715155e-09  7.53827947e-27]
 [ 2.08715155e-09 -2.08715155e-09 -7.53813062e-27]
 [ 2.08715155e-09  2.08715155e-09  7.53817762e-27]
 [-2.08715155e-09 -2.08715155e-09 -7.53831865e-27]
 [-2.08715155e-09  2.08715155e-09  7.53827947e-27]
 [ 2.08715155e-09 -2.08715155e-09 -7.53816196e-27]]
stress =  [ 1.37595061e-10  1.37595061e-10 -2.15386945e-10 -1.35991223e-26
 -4.33096563e-44 -3.42625469e-60]
energy per atom =  -6.927214578957424
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0