element(s):
['C']
AFLOW prototype label:
A_hP8_194_ef
Parameter names:
['a', 'c/a', 'z1', 'z2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.5188', '3.2978799', '0.092975226', '0.65554043']
model name:
Tersoff_LAMMPS_AlbeNordlundAverback_2002_PtC__MO_500121566391_004
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C']
representative atom coordinates =  [[0.         0.         0.09297523]
 [0.33333333 0.66666667 0.65554043]]
spacegroup =  194
cell =  [[2.5188, 0, 0], [-1.2594, 2.1813447870522, 0], [0, 0, 8.3067]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:50:38      -58.554296         0.604441
BFGS:    1 15:50:38      -58.569459         0.360957
BFGS:    2 15:50:39      -58.572626         0.319242
BFGS:    3 15:50:39      -58.578025         0.218596
BFGS:    4 15:50:39      -58.582938         0.168585
BFGS:    5 15:50:39      -58.584691         0.062602
BFGS:    6 15:50:39      -58.584980         0.051891
BFGS:    7 15:50:39      -58.585106         0.045666
BFGS:    8 15:50:39      -58.585352         0.038626
BFGS:    9 15:50:39      -58.585588         0.040066
BFGS:   10 15:50:39      -58.585708         0.018928
BFGS:   11 15:50:39      -58.585727         0.003340
BFGS:   12 15:50:39      -58.585728         0.000235
BFGS:   13 15:50:39      -58.585729         0.000016
BFGS:   14 15:50:39      -58.585729         0.000001
BFGS:   15 15:50:39      -58.585729         0.000000
BFGS:   16 15:50:39      -58.585729         0.000000
Minimization converged after 16 steps.
Maximum force component: 7.475149309475845e-10 eV/Angstrom
Maximum stress component: 9.095492216095396e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C', 'C', 'C']
basis =  [[5.51721704e-36 0.00000000e+00 9.37500000e-02]
 [0.00000000e+00 0.00000000e+00 5.93750000e-01]
 [1.03081673e-35 3.84806794e-36 9.06250000e-01]
 [5.74631853e-36 0.00000000e+00 4.06250000e-01]
 [3.33333333e-01 6.66666667e-01 6.56250000e-01]
 [6.66666667e-01 3.33333333e-01 1.56250000e-01]
 [6.66666667e-01 3.33333333e-01 3.43750000e-01]
 [3.33333333e-01 6.66666667e-01 8.43750000e-01]]
cellpar =  Cell([[2.5157111839338135, -6.016388295308541e-19, 2.9399146330575776e-38], [-1.2578555919669068, 2.1786697938713093, 7.145604815098458e-38], [1.4809170093051805e-36, 2.048728702924909e-36, 8.216278321269021]])
forces =  [[-5.23808188e-47 -5.72889142e-31 -2.69731716e-10]
 [-4.96136550e-31  8.59333713e-31 -2.69731716e-10]
 [-1.65378850e-31 -2.86444571e-31  2.69731716e-10]
 [-8.78575141e-31 -1.96930643e-31  2.69731716e-10]
 [-1.15765195e-30  1.14577828e-30 -7.47514931e-10]
 [ 8.26894251e-31 -2.86444571e-31 -7.47514931e-10]
 [ 9.30256032e-31 -4.65472428e-31  7.47514931e-10]
 [-9.09583676e-31  4.29666856e-31  7.47514931e-10]]
stress =  [ 3.68187698e-11  3.68187698e-11  9.09549222e-11 -1.46896898e-32
 -2.17584430e-45  4.58698424e-27]
energy per atom =  -7.323216063109692
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0