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 15:05:25      -67.390831         3.718911
BFGS:    1 15:05:25      -67.956495         3.812478
BFGS:    2 15:05:25      -68.531237         3.839336
BFGS:    3 15:05:25      -69.104791         3.796125
BFGS:    4 15:05:25      -69.666441         3.680258
BFGS:    5 15:05:25      -70.205144         3.489925
BFGS:    6 15:05:25      -70.709642         3.224098
BFGS:    7 15:05:26      -71.168584         2.882520
BFGS:    8 15:05:26      -71.570635         2.465706
BFGS:    9 15:05:26      -71.904597         1.974928
BFGS:   10 15:05:26      -72.159515         1.412199
BFGS:   11 15:05:26      -72.324795         0.780260
BFGS:   12 15:05:26      -72.390303         0.082554
BFGS:   13 15:05:26      -72.391000         0.004165
BFGS:   14 15:05:26      -72.391002         0.000020
BFGS:   15 15:05:26      -72.391002         0.000000
Minimization converged after 15 steps.
Maximum force component: 2.221230818227189e-30 eV/Angstrom
Maximum stress component: 6.108847079800792e-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([[5.005768142170911, 5.960311828962155e-33, -1.3980422647208134e-32], [6.514581311793762e-34, 5.005768142170911, -4.876053579428394e-18], [2.875846330117572e-34, -4.876053579428397e-18, 5.005768142170911]])
forces =  [[-2.46803424e-31  8.22678081e-32 -4.93606848e-31]
 [-4.11339040e-31  7.40410273e-31 -6.58142465e-31]
 [-6.58142465e-31 -3.20544003e-49  3.29071232e-31]
 [-2.22123082e-30 -1.39855274e-30  1.36231201e-48]
 [-1.64535616e-31  3.29071232e-31  1.64535616e-31]
 [-2.46803424e-31  3.20544003e-49 -3.29071232e-31]
 [ 1.64535616e-30  8.22678081e-31  8.22678081e-31]
 [-3.29071232e-31 -4.93606848e-31  4.93606848e-31]
 [-4.93606848e-31  2.46803424e-31 -2.40408003e-49]
 [-8.22678081e-32 -4.93606848e-31  2.46803424e-31]
 [-3.29071232e-31  6.58142465e-31 -6.58142465e-31]
 [ 9.87213697e-31  1.23401712e-30 -8.22678081e-32]
 [-8.22678081e-31  8.22678081e-32 -8.22678081e-32]
 [-6.58142465e-31 -6.58142465e-31  6.41088007e-49]
 [ 8.22678081e-32  9.04945889e-31 -3.29071232e-31]
 [-4.93606848e-31 -3.29071232e-31 -4.93606848e-31]]
stress =  [-6.10884708e-10 -6.10884708e-10 -6.10884708e-10  2.94790052e-25
 -8.48131931e-60  1.76134334e-59]
energy per atom =  -4.524437631228656
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0