element(s):
['C']
AFLOW prototype label:
A_cF8_227_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.5727']
model name:
Sim_LAMMPS_TersoffZBL_DevanathanDiazdelaRubiaWeber_1998_SiC__SM_578912636995_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0 0 0]]
spacegroup =  227
cell =  [[3.5727, 0, 0], [0, 3.5727, 0], [0, 0, 3.5727]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:26:43      -59.746885         0.189708
BFGS:    1 16:26:43      -59.748363         0.173999
BFGS:    2 16:26:43      -59.756095         0.003302
BFGS:    3 16:26:43      -59.756097         0.000056
BFGS:    4 16:26:43      -59.756097         0.000000
BFGS:    5 16:26:43      -59.756097         0.000000
Minimization converged after 5 steps.
Maximum force component: 9.868454616631602e-31 eV/Angstrom
Maximum stress component: 1.4850766067545472e-14 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[1.41234863e-33 8.85927775e-33 3.22585693e-33]
 [3.72346456e-33 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 5.80816501e-34]
 [5.00000000e-01 1.12987889e-32 5.00000000e-01]
 [7.50000000e-01 2.50000000e-01 7.50000000e-01]
 [2.50000000e-01 2.50000000e-01 2.50000000e-01]
 [2.50000000e-01 7.50000000e-01 7.50000000e-01]
 [7.50000000e-01 7.50000000e-01 2.50000000e-01]]
cellpar =  Cell([[3.558329576703457, 3.6978380627185564e-38, 3.960229320381905e-37], [-2.537484339945939e-38, 3.558329576703457, -2.3964644289637725e-23], [6.650328558944396e-35, -2.3964644289709615e-23, 3.558329576703457]])
forces =  [[-1.46199328e-32  4.38597983e-31 -2.95387047e-54]
 [ 1.02339529e-31  5.11697647e-32 -3.25293504e-31]
 [ 3.55523158e-66 -4.38597983e-31  1.90059126e-31]
 [-4.75147815e-32  3.54533370e-31 -9.86845462e-31]
 [ 1.75439193e-31  4.38597983e-31  2.92398655e-31]
 [-3.65498319e-31 -3.21638521e-31  1.46199328e-31]
 [-5.11697647e-32  5.99417243e-31  5.84797311e-32]
 [ 8.77195966e-32 -1.02339529e-31  6.89236442e-55]]
stress =  [-1.48507661e-14 -1.48507661e-14 -1.48507661e-14  3.29918294e-30
 -1.41966188e-34  4.72975831e-50]
energy per atom =  -7.469512181996433
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0