element(s):
['C']
AFLOW prototype label:
A_cP20_221_gj
Parameter names:
['a', 'x1', 'y2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.215', '0.26228631', '0.15146094']
model name:
Tersoff_LAMMPS_ErhartAlbe_2005_SiC__MO_903987585848_005
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C']
representative atom coordinates =  [[0.26228631 0.26228631 0.26228631]
 [0.5        0.15146094 0.15146094]]
spacegroup =  221
cell =  [[5.215, 0, 0], [0, 5.215, 0], [0, 0, 5.215]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 14:19:54     -141.690883        0.4751
BFGS:    1 14:19:54     -141.703593        0.4625
BFGS:    2 14:19:54     -141.735480        0.4059
BFGS:    3 14:19:54     -141.773884        0.3214
BFGS:    4 14:19:54     -141.805376        0.2770
BFGS:    5 14:19:54     -141.832178        0.2279
BFGS:    6 14:19:54     -141.844300        0.0813
BFGS:    7 14:19:54     -141.845335        0.0188
BFGS:    8 14:19:54     -141.845430        0.0013
BFGS:    9 14:19:54     -141.845431        0.0002
BFGS:   10 14:19:54     -141.845431        0.0000
BFGS:   11 14:19:54     -141.845431        0.0000
BFGS:   12 14:19:54     -141.845431        0.0000
BFGS:   13 14:19:54     -141.845431        0.0000
Minimization converged after 13 steps.
Maximum force component: 4.773608985817378e-09 eV/Angstrom
Maximum stress component: 1.8705979550964528e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.26291497 0.26291497 0.26291497]
 [0.73708503 0.73708503 0.26291497]
 [0.73708503 0.26291497 0.73708503]
 [0.26291497 0.73708503 0.73708503]
 [0.26291497 0.26291497 0.73708503]
 [0.73708503 0.73708503 0.73708503]
 [0.26291497 0.73708503 0.26291497]
 [0.73708503 0.26291497 0.26291497]
 [0.5        0.15201159 0.15201159]
 [0.5        0.84798841 0.15201159]
 [0.5        0.15201159 0.84798841]
 [0.5        0.84798841 0.84798841]
 [0.15201159 0.5        0.15201159]
 [0.15201159 0.5        0.84798841]
 [0.84798841 0.5        0.15201159]
 [0.84798841 0.5        0.84798841]
 [0.15201159 0.15201159 0.5       ]
 [0.84798841 0.15201159 0.5       ]
 [0.15201159 0.84798841 0.5       ]
 [0.84798841 0.84798841 0.5       ]]
cellpar =  Cell([[5.270281384859843, -3.403838642974249e-32, -1.357533575894805e-32], [-1.7520525577329249e-32, 5.270281384859843, 4.6929431189578176e-18], [1.8019554162855773e-32, 4.692943118957772e-18, 5.270281384859843]])
forces =  [[-4.77360899e-09 -4.77360899e-09 -4.77360899e-09]
 [ 4.77360899e-09  4.77360899e-09 -4.77360899e-09]
 [ 4.77360899e-09 -4.77360899e-09  4.77360899e-09]
 [-4.77360899e-09  4.77360899e-09  4.77360899e-09]
 [-4.77360899e-09 -4.77360899e-09  4.77360899e-09]
 [ 4.77360899e-09  4.77360899e-09  4.77360899e-09]
 [-4.77360899e-09  4.77360899e-09 -4.77360899e-09]
 [ 4.77360899e-09 -4.77360899e-09 -4.77360899e-09]
 [-2.35439610e-43 -2.48649683e-09 -2.48649683e-09]
 [-1.67676617e-41  2.48649683e-09 -2.48649683e-09]
 [ 1.67676617e-41 -2.48649683e-09  2.48649683e-09]
 [-4.33074890e-32  2.48649683e-09  2.48649683e-09]
 [-2.48649683e-09 -2.21411103e-27 -2.48649683e-09]
 [-2.48649683e-09  2.21411103e-27  2.48649683e-09]
 [ 2.48649683e-09 -2.21410021e-27 -2.48649683e-09]
 [ 2.48649683e-09  2.21411645e-27  2.48649683e-09]
 [-2.48649683e-09 -2.48649683e-09 -2.21411485e-27]
 [ 2.48649683e-09 -2.48649683e-09 -2.21411645e-27]
 [-2.48649683e-09  2.48649683e-09  2.21411374e-27]
 [ 2.48649683e-09  2.48649683e-09  2.21411645e-27]]
stress =  [ 1.87059796e-11  1.87059796e-11  1.87059796e-11  5.26624703e-28
  1.32359919e-59 -5.97690453e-60]
energy per atom =  -7.092271569784911
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0