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_AlbeNordlundAverback_2002_PtC__MO_500121566391_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 14:58:42      -67.390831         3.718911
BFGS:    1 14:58:42      -67.956495         3.812478
BFGS:    2 14:58:42      -68.531237         3.839336
BFGS:    3 14:58:42      -69.104791         3.796125
BFGS:    4 14:58:42      -69.666441         3.680258
BFGS:    5 14:58:42      -70.205144         3.489925
BFGS:    6 14:58:42      -70.709642         3.224098
BFGS:    7 14:58:42      -71.168584         2.882520
BFGS:    8 14:58:42      -71.570635         2.465706
BFGS:    9 14:58:42      -71.904597         1.974928
BFGS:   10 14:58:42      -72.159515         1.412199
BFGS:   11 14:58:42      -72.324795         0.780260
BFGS:   12 14:58:42      -72.390303         0.082554
BFGS:   13 14:58:42      -72.391000         0.004165
BFGS:   14 14:58:42      -72.391002         0.000020
BFGS:   15 14:58:42      -72.391002         0.000000
Minimization converged after 15 steps.
Maximum force component: 4.77153286878433e-30 eV/Angstrom
Maximum stress component: 6.108923435429433e-10 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([[5.0057681421709095, 6.607984242777387e-33, -1.2015287408881345e-32], [-1.827963386486916e-33, 5.0057681421709095, -2.1586546648753113e-18], [1.1424044717888298e-34, -2.158654664875313e-18, 5.0057681421709095]])
forces =  [[-1.80989178e-30  1.15174931e-30 -8.22678081e-32]
 [-1.64535616e-31  2.22123082e-30  4.93606848e-31]
 [-2.96164109e-30  3.29071232e-31  9.87213697e-31]
 [-1.64535616e-31 -1.97442739e-30  4.93606848e-31]
 [ 1.39855274e-30 -3.29071232e-30 -1.64535616e-31]
 [ 3.29071232e-30 -7.40410273e-31  4.27792602e-30]
 [-2.30349863e-30 -9.87213697e-31 -9.87213697e-31]
 [-1.64535616e-30  2.46803424e-31  6.58142465e-31]
 [ 9.87213697e-31 -2.13896301e-30 -8.22678081e-31]
 [ 1.15174931e-30 -3.45524794e-30  9.87213697e-31]
 [-8.33661845e-64  2.30349863e-30  3.29071232e-31]
 [-6.58142465e-31  3.61978356e-30 -1.56097175e-48]
 [-4.93606848e-31  4.93606848e-31 -4.93606848e-31]
 [ 4.77153287e-30 -6.58142465e-31  3.29071232e-31]
 [-1.31628493e-30  2.05669520e-30  2.13896301e-30]
 [-1.31628493e-30  9.87213697e-31  1.31628493e-30]]
stress =  [-6.10892344e-10 -6.10892344e-10 -6.10892344e-10  1.69231804e-26
 -6.55869954e-34 -2.67992757e-50]
energy per atom =  -4.524437631228663
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0