element(s):
['C', 'Si']
AFLOW prototype label:
A2B_cP12_205_c_a
Parameter names:
['a', 'x2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.7882', '0.41797522']
model name:
Sim_LAMMPS_EDIP_LucasBertolusPizzagalli_2009_SiC__SM_435704953434_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'Si']
representative atom coordinates =  [[0.41797522 0.41797522 0.41797522]
 [0.         0.         0.        ]]
spacegroup =  205
cell =  [[4.7882, 0, 0], [0, 4.7882, 0], [0, 0, 4.7882]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:21:15      -66.045358         6.833630
BFGS:    1 16:21:15      -68.016385         3.125172
BFGS:    2 16:21:15      -68.668183         1.094279
BFGS:    3 16:21:15      -68.748352         1.134292
BFGS:    4 16:21:15      -68.877230         1.104221
BFGS:    5 16:21:15      -68.992548         1.006781
BFGS:    6 16:21:15      -69.103867         1.101205
BFGS:    7 16:21:15      -69.209417         1.096435
BFGS:    8 16:21:15      -69.304610         0.971932
BFGS:    9 16:21:15      -69.381647         0.698945
BFGS:   10 16:21:15      -69.422984         0.168107
BFGS:   11 16:21:15      -69.425280         0.045499
BFGS:   12 16:21:15      -69.425532         0.000469
BFGS:   13 16:21:15      -69.425532         0.000006
BFGS:   14 16:21:15      -69.425532         0.000000
BFGS:   15 16:21:15      -69.425532         0.000000
Minimization converged after 15 steps.
Maximum force component: 4.8015152098250586e-11 eV/Angstrom
Maximum stress component: 1.5628391808103494e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'Si', 'Si', 'Si', 'Si']
basis =  [[4.04717055e-01 4.04717055e-01 4.04717055e-01]
 [9.52829454e-02 5.95282945e-01 9.04717055e-01]
 [5.95282945e-01 9.04717055e-01 9.52829454e-02]
 [9.04717055e-01 9.52829454e-02 5.95282945e-01]
 [5.95282945e-01 5.95282945e-01 5.95282945e-01]
 [9.04717055e-01 4.04717055e-01 9.52829454e-02]
 [4.04717055e-01 9.52829454e-02 9.04717055e-01]
 [9.52829454e-02 9.04717055e-01 4.04717055e-01]
 [0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [1.80154861e-53 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[4.636227781813034, -3.05385681953151e-36, 0.0], [6.887248832174187e-37, 4.636227781813034, 0.0], [0.0, 0.0, 4.636227781813034]])
forces =  [[-4.80151521e-11 -4.80151521e-11 -4.80151521e-11]
 [ 4.80151521e-11  4.80151521e-11 -4.80151521e-11]
 [ 4.80151521e-11 -4.80151521e-11  4.80151521e-11]
 [-4.80151521e-11  4.80151521e-11  4.80151521e-11]
 [ 4.80151521e-11  4.80151521e-11  4.80151521e-11]
 [-4.80151521e-11 -4.80151521e-11  4.80151521e-11]
 [-4.80151521e-11  4.80151521e-11 -4.80151521e-11]
 [ 4.80151521e-11 -4.80151521e-11 -4.80151521e-11]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [1.56283918e-12 1.56283918e-12 1.56283918e-12 0.00000000e+00
 0.00000000e+00 8.22131087e-66]
energy per atom =  -5.785460978059522
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0