element(s):
['Si']
AFLOW prototype label:
A_oF16_69_gh
Parameter names:
['a', 'b/a', 'c/a', 'x1', 'y2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['9.2787', '0.57961783', '0.52892108', '0.27623302', '0.77184474']
model name:
Sim_LAMMPS_TersoffZBL_DevanathanDiazdelaRubiaWeber_1998_SiC__SM_578912636995_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si', 'Si']
representative atom coordinates =  [[0.         0.27623302 0.        ]
 [0.22815526 0.         0.        ]]
spacegroup =  69
cell =  [[5.3781, 0, 0], [0, 9.2787, 0], [0, 0, 4.9077]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:33:57      -64.217433         1.815033
BFGS:    1 15:33:58      -64.469405         1.245587
BFGS:    2 15:33:58      -64.519023         1.127413
BFGS:    3 15:33:58      -64.645428         1.306422
BFGS:    4 15:33:58      -64.837319         1.849827
BFGS:    5 15:33:58      -65.168819         2.619541
BFGS:    6 15:33:58      -65.600141         2.971596
BFGS:    7 15:33:59      -65.902423         2.442760
BFGS:    8 15:33:59      -66.075373         2.289097
BFGS:    9 15:33:59      -66.211362         2.639334
BFGS:   10 15:33:59      -66.352296         2.745563
BFGS:   11 15:33:59      -66.499924         2.681838
BFGS:   12 15:33:59      -66.647076         2.466483
BFGS:   13 15:33:59      -66.782987         2.113754
BFGS:   14 15:33:59      -66.895045         1.643728
BFGS:   15 15:34:00      -66.977240         1.061436
BFGS:   16 15:34:00      -67.024390         0.671878
BFGS:   17 15:34:00      -67.036295         0.641299
BFGS:   18 15:34:00      -67.040603         0.623887
BFGS:   19 15:34:00      -67.065075         0.510733
BFGS:   20 15:34:00      -67.083530         0.398064
BFGS:   21 15:34:00      -67.097033         0.286547
BFGS:   22 15:34:01      -67.106043         0.241663
BFGS:   23 15:34:01      -67.111087         0.203613
BFGS:   24 15:34:01      -67.116538         0.318031
BFGS:   25 15:34:01      -67.122057         0.354915
BFGS:   26 15:34:01      -67.124896         0.260223
BFGS:   27 15:34:01      -67.125722         0.150678
BFGS:   28 15:34:02      -67.125870         0.149156
BFGS:   29 15:34:02      -67.125938         0.148707
BFGS:   30 15:34:02      -67.125975         0.148407
BFGS:   31 15:34:02      -67.125990         0.148360
BFGS:   32 15:34:02      -67.126012         0.148175
BFGS:   33 15:34:02      -67.126024         0.148083
BFGS:   34 15:34:03      -67.126102         0.147438
BFGS:   35 15:34:03      -67.126261         0.145958
BFGS:   36 15:34:03      -67.126706         0.164252
BFGS:   37 15:34:03      -67.127744         0.209056
BFGS:   38 15:34:03      -67.130016         0.253516
BFGS:   39 15:34:03      -67.133748         0.252345
BFGS:   40 15:34:03      -67.137283         0.159355
BFGS:   41 15:34:04      -67.138755         0.050145
BFGS:   42 15:34:04      -67.138952         0.005927
BFGS:   43 15:34:04      -67.138961         0.000389
BFGS:   44 15:34:04      -67.138961         0.000029
BFGS:   45 15:34:04      -67.138961         0.000004
BFGS:   46 15:34:05      -67.138961         0.000001
BFGS:   47 15:34:05      -67.138961         0.000000
BFGS:   48 15:34:05      -67.138961         0.000000
Minimization converged after 48 steps.
Maximum force component: 1.950420075447213e-09 eV/Angstrom
Maximum stress component: 1.0807605610161085e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']
basis =  [[0.00000000e+00 2.87200046e-01 1.01076245e-32]
 [0.00000000e+00 7.12799954e-01 3.53766858e-32]
 [0.00000000e+00 7.87200046e-01 5.00000000e-01]
 [4.48415508e-44 2.12799954e-01 5.00000000e-01]
 [5.00000000e-01 2.87200046e-01 5.00000000e-01]
 [5.00000000e-01 7.12799954e-01 5.00000000e-01]
 [5.00000000e-01 7.87200046e-01 3.03228735e-32]
 [5.00000000e-01 2.12799954e-01 0.00000000e+00]
 [2.16517324e-01 1.00000000e+00 0.00000000e+00]
 [7.83482676e-01 1.00000000e+00 1.80555932e-35]
 [2.16517324e-01 5.00000000e-01 5.00000000e-01]
 [7.83482676e-01 5.00000000e-01 5.00000000e-01]
 [7.16517324e-01 1.00000000e+00 5.00000000e-01]
 [2.83482676e-01 1.00000000e+00 5.00000000e-01]
 [7.16517324e-01 5.00000000e-01 0.00000000e+00]
 [2.83482676e-01 5.00000000e-01 0.00000000e+00]]
cellpar =  Cell([[5.2466117934250835, -2.2389613582175363e-53, -4.756182435558451e-37], [-1.4081985402062739e-52, 9.75894285548275, 2.769524371539522e-16], [-7.161372090049658e-37, 1.4941700928269614e-16, 4.877882683660638]])
forces =  [[ 6.46694833e-32  1.56907759e-09  4.45293992e-26]
 [ 2.26415199e-62 -1.56907759e-09 -4.45294143e-26]
 [-2.26415177e-62  1.56907759e-09  4.45293992e-26]
 [ 3.23347416e-32 -1.56907759e-09 -4.45293992e-26]
 [ 3.23347416e-32  1.56907759e-09  4.45293992e-26]
 [ 2.26415199e-62 -1.56907759e-09 -4.45294143e-26]
 [-2.26415174e-62  1.56907759e-09  4.45293974e-26]
 [ 2.26415188e-62 -1.56907759e-09 -4.45294068e-26]
 [-1.95042008e-09 -9.29621307e-50 -3.03485105e-33]
 [ 1.95042008e-09 -8.32330531e-63 -1.76810370e-46]
 [-1.95042008e-09 -1.50360322e-32  1.76383657e-46]
 [ 1.95042008e-09  3.00720644e-32 -1.75956944e-46]
 [-1.95042008e-09 -4.60426708e-49 -1.50311365e-32]
 [ 1.95042008e-09 -3.39132675e-49 -1.10713594e-32]
 [-1.95042008e-09  8.32330531e-63  1.76810370e-46]
 [ 1.95042008e-09 -8.32330531e-63 -1.76810370e-46]]
stress =  [ 3.30845909e-11  4.70060397e-11 -1.08076056e-10  2.53206241e-26
  1.85723597e-47 -8.37341404e-64]
energy per atom =  -4.196185044943975
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.