element(s):
['C']
AFLOW prototype label:
A_cF16_227_c
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.8232']
model name:
Tersoff_LAMMPS_Tersoff_1988_C__MO_579868029681_004
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.125 0.125 0.125]]
spacegroup =  227
cell =  [[4.8232, 0, 0], [0, 4.8232, 0], [0, 0, 4.8232]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 16:43:39      -38.656199        4.8818
BFGS:    1 16:43:39      -39.373245        4.6796
BFGS:    2 16:43:39      -40.060342        4.4825
BFGS:    3 16:43:39      -40.718239        4.2903
BFGS:    4 16:43:39      -41.347667        4.1029
BFGS:    5 16:43:40      -41.949342        3.9202
BFGS:    6 16:43:40      -42.523965        3.7422
BFGS:    7 16:43:40      -43.072220        3.5686
BFGS:    8 16:43:40      -43.594779        3.3995
BFGS:    9 16:43:40      -44.092297        3.2348
BFGS:   10 16:43:40      -44.565416        3.0742
BFGS:   11 16:43:40      -45.014765        2.9178
BFGS:   12 16:43:40      -45.440956        2.7654
BFGS:   13 16:43:40      -45.844592        2.6170
BFGS:   14 16:43:40      -46.226259        2.4725
BFGS:   15 16:43:40      -46.586533        2.3318
BFGS:   16 16:43:40      -46.925975        2.1947
BFGS:   17 16:43:40      -47.245137        2.0613
BFGS:   18 16:43:40      -47.544628        1.9356
BFGS:   19 16:43:40      -47.825933        1.8110
BFGS:   20 16:43:40      -48.086688        1.6615
BFGS:   21 16:43:40      -48.323118        1.4866
BFGS:   22 16:43:40      -48.531373        1.2858
BFGS:   23 16:43:40      -48.707567        1.0591
BFGS:   24 16:43:40      -48.847807        0.8065
BFGS:   25 16:43:40      -48.948229        0.5283
BFGS:   26 16:43:40      -49.005027        0.2249
BFGS:   27 16:43:40      -49.016777        0.0158
BFGS:   28 16:43:40      -49.016834        0.0004
BFGS:   29 16:43:40      -49.016834        0.0000
BFGS:   30 16:43:40      -49.016834        0.0000
Minimization converged after 30 steps.
Maximum force component: 4.551626660299816e-30 eV/Angstrom
Maximum stress component: 3.6605057681833755e-12 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']
basis =  [[0.125 0.125 0.125]
 [0.875 0.375 0.625]
 [0.375 0.625 0.875]
 [0.625 0.875 0.375]
 [0.375 0.875 0.625]
 [0.875 0.625 0.375]
 [0.625 0.375 0.875]
 [0.125 0.625 0.625]
 [0.875 0.875 0.125]
 [0.375 0.125 0.375]
 [0.375 0.375 0.125]
 [0.875 0.125 0.875]
 [0.625 0.125 0.625]
 [0.125 0.875 0.875]
 [0.125 0.375 0.375]
 [0.625 0.625 0.125]]
cellpar =  Cell([[5.225544695496337, -2.614048895171344e-33, -3.487943178349357e-32], [-1.619322114663088e-33, 5.225544695496337, -6.751850051036391e-19], [-1.1694936528763338e-32, -6.751850051036526e-19, 5.225544695496337]])
forces =  [[ 2.83403169e-30  5.15278490e-31 -6.65783818e-50]
 [ 1.71759497e-31  1.45995572e-30  2.57639245e-31]
 [-1.37407597e-30  2.40463295e-30 -1.03055698e-30]
 [ 4.29398742e-31  4.29398742e-31 -4.29398742e-31]
 [ 7.72917735e-31  1.20231648e-30 -6.87037986e-31]
 [-1.54583547e-30 -3.52106968e-30  4.55162666e-30]
 [ 1.71759497e-31 -1.77542351e-49  1.37407597e-30]
 [ 2.57639245e-30  1.03055698e-30 -8.58797483e-32]
 [ 1.54583547e-30  1.20231648e-30 -1.11643673e-30]
 [-1.63171522e-30  2.14699371e-30 -1.88935446e-30]
 [ 3.43518993e-31  1.54583547e-30 -1.71759497e-31]
 [ 3.69282918e-30 -1.88935446e-30  3.17755069e-30]
 [ 2.49051270e-30  6.01158238e-31  1.71759497e-31]
 [-1.20231648e-30  3.86458867e-30 -5.15278490e-31]
 [ 1.45995572e-30  2.57639245e-31 -8.58797483e-32]
 [ 2.74815195e-30 -5.15278490e-31  1.71759497e-31]]
stress =  [ 3.66050577e-12  3.66050577e-12  3.66050577e-12 -1.15429665e-29
  3.75071201e-60 -3.15573306e-61]
energy per atom =  -3.0635521046968295
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0