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_2005SiII_SiC__MO_408791041969_004
==== 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 14:14:22     -141.690882        0.4751
BFGS:    1 14:14:22     -141.703592        0.4625
BFGS:    2 14:14:22     -141.735478        0.4059
BFGS:    3 14:14:22     -141.773882        0.3214
BFGS:    4 14:14:23     -141.805374        0.2770
BFGS:    5 14:14:23     -141.832176        0.2279
BFGS:    6 14:14:23     -141.844299        0.0813
BFGS:    7 14:14:23     -141.845334        0.0188
BFGS:    8 14:14:23     -141.845429        0.0013
BFGS:    9 14:14:23     -141.845430        0.0002
BFGS:   10 14:14:24     -141.845430        0.0000
BFGS:   11 14:14:24     -141.845430        0.0000
BFGS:   12 14:14:24     -141.845430        0.0000
BFGS:   13 14:14:24     -141.845430        0.0000
Minimization converged after 13 steps.
Maximum force component: 4.7736062261614485e-09 eV/Angstrom
Maximum stress component: 1.8700310560330957e-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([[5.2702813911004815, 2.4247987341045184e-32, -9.923540326610965e-33], [-4.386897543666346e-33, 5.2702813911004815, -2.1898614601742352e-18], [-2.245786930811031e-32, -2.1898614601742287e-18, 5.2702813911004815]])
forces =  [[-4.77360623e-09 -4.77360623e-09 -4.77360623e-09]
 [ 4.77360623e-09  4.77360623e-09 -4.77360623e-09]
 [ 4.77360623e-09 -4.77360623e-09  4.77360623e-09]
 [-4.77360623e-09  4.77360623e-09  4.77360623e-09]
 [-4.77360623e-09 -4.77360623e-09  4.77360623e-09]
 [ 4.77360623e-09  4.77360623e-09  4.77360623e-09]
 [-4.77360623e-09  4.77360623e-09 -4.77360623e-09]
 [ 4.77360623e-09 -4.77360623e-09 -4.77360623e-09]
 [ 1.26660082e-41 -2.48664581e-09 -2.48664581e-09]
 [-1.08268723e-32  2.48664581e-09 -2.48664581e-09]
 [-8.52632012e-42 -2.48664581e-09  2.48664581e-09]
 [-1.26660082e-41  2.48664581e-09  2.48664581e-09]
 [-2.48664581e-09  1.03324026e-27 -2.48664581e-09]
 [-2.48664581e-09 -1.03322943e-27  2.48664581e-09]
 [ 2.48664581e-09  1.03322943e-27 -2.48664581e-09]
 [ 2.48664581e-09 -1.03322943e-27  2.48664581e-09]
 [-2.48664581e-09 -2.48664581e-09  1.03322943e-27]
 [ 2.48664581e-09 -2.48664581e-09  1.03322943e-27]
 [-2.48664581e-09  2.48664581e-09 -1.03321860e-27]
 [ 2.48664581e-09  2.48664581e-09 -1.03322943e-27]]
stress =  [ 1.87003106e-11  1.87003106e-11  1.87003106e-11  3.85541274e-27
 -1.18337280e-33 -3.08822988e-49]
energy per atom =  -7.09227149104022
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Skipping parameter set 0 because of error while adding or validating property:
 [Errno 12] Cannot allocate memory
No parameter sets in this group successfully added a property instance. Skipping this group.