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_TersoffZBL_DevanathanDiazdelaRubiaWeber_1998_SiC__SM_578912636995_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      -71.168428        11.061084
BFGS:    1 16:21:15      -74.123991         4.226024
BFGS:    2 16:21:15      -74.996312         1.778359
BFGS:    3 16:21:15      -75.384843         1.788041
BFGS:    4 16:21:15      -75.605879         1.711013
BFGS:    5 16:21:15      -75.793327         1.600763
BFGS:    6 16:21:15      -75.970050         1.471433
BFGS:    7 16:21:15      -76.140728         1.439368
BFGS:    8 16:21:15      -76.305374         1.481869
BFGS:    9 16:21:15      -76.462074         1.455711
BFGS:   10 16:21:15      -76.607543         1.362121
BFGS:   11 16:21:15      -76.737086         1.196978
BFGS:   12 16:21:15      -76.844311         0.950666
BFGS:   13 16:21:15      -76.920516         0.604137
BFGS:   14 16:21:15      -76.952554         0.104903
BFGS:   15 16:21:15      -76.953261         0.051938
BFGS:   16 16:21:15      -76.953586         0.000372
BFGS:   17 16:21:15      -76.953586         0.000002
BFGS:   18 16:21:15      -76.953586         0.000000
Minimization converged after 18 steps.
Maximum force component: 1.1379971617819788e-10 eV/Angstrom
Maximum stress component: 3.396685199975337e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C', 'Si', 'Si', 'Si', 'Si']
basis =  [[4.03427863e-01 4.03427863e-01 4.03427863e-01]
 [9.65721368e-02 5.96572137e-01 9.03427863e-01]
 [5.96572137e-01 9.03427863e-01 9.65721368e-02]
 [9.03427863e-01 9.65721368e-02 5.96572137e-01]
 [5.96572137e-01 5.96572137e-01 5.96572137e-01]
 [9.03427863e-01 4.03427863e-01 9.65721368e-02]
 [4.03427863e-01 9.65721368e-02 9.03427863e-01]
 [9.65721368e-02 9.03427863e-01 4.03427863e-01]
 [0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [1.47245841e-52 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[4.53792904958797, 4.25701435802239e-36, 0.0], [-6.750057464827578e-36, 4.53792904958797, 0.0], [0.0, 0.0, 4.53792904958797]])
forces =  [[-1.13799716e-10 -1.13799716e-10 -1.13799716e-10]
 [ 1.13799716e-10  1.13799716e-10 -1.13799716e-10]
 [ 1.13799716e-10 -1.13799716e-10  1.13799716e-10]
 [-1.13799716e-10  1.13799716e-10  1.13799716e-10]
 [ 1.13799716e-10  1.13799716e-10  1.13799716e-10]
 [-1.13799716e-10 -1.13799716e-10  1.13799716e-10]
 [-1.13799716e-10  1.13799716e-10 -1.13799716e-10]
 [ 1.13799716e-10 -1.13799716e-10 -1.13799716e-10]
 [ 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 =  [-3.39668520e-13 -3.39668520e-13 -3.39668520e-13  0.00000000e+00
  0.00000000e+00  6.38460128e-33]
energy per atom =  -6.412798796638255
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0