element(s):
['C']
AFLOW prototype label:
A_hP4_194_f
Parameter names:
['a', 'c/a', 'z1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.5124', '1.6642254', '0.062750617']
model name:
Tersoff_LAMMPS_KinaciHaskinsSevik_2012_BNC__MO_105008013807_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.33333333 0.66666667 0.06275062]]
spacegroup =  194
cell =  [[2.5124, 0, 0], [-1.2562, 2.175802224468, 0], [0, 0, 4.1812]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:10:52      -26.030606         1.117097
BFGS:    1 15:10:52      -26.067925         0.855389
BFGS:    2 15:10:52      -26.124175         0.414117
BFGS:    3 15:10:53      -26.142385         0.259221
BFGS:    4 15:10:53      -26.145159         0.089694
BFGS:    5 15:10:53      -26.145531         0.101564
BFGS:    6 15:10:53      -26.145796         0.089154
BFGS:    7 15:10:53      -26.146086         0.052197
BFGS:    8 15:10:53      -26.146239         0.028206
BFGS:    9 15:10:53      -26.146268         0.006206
BFGS:   10 15:10:53      -26.146270         0.000504
BFGS:   11 15:10:53      -26.146270         0.000044
BFGS:   12 15:10:53      -26.146270         0.000002
BFGS:   13 15:10:53      -26.146270         0.000000
BFGS:   14 15:10:53      -26.146270         0.000000
Minimization converged after 14 steps.
Maximum force component: 2.1321183754279446e-09 eV/Angstrom
Maximum stress component: 3.631449870029901e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C']
basis =  [[0.33333333 0.66666667 0.0625    ]
 [0.66666666 0.33333334 0.5625    ]
 [0.66666666 0.33333334 0.9375    ]
 [0.33333333 0.66666667 0.4375    ]]
cellpar =  Cell([[2.5774965328637633, 7.526239850036514e-18, -4.1356688020195316e-37], [-1.2887482664318817, 2.232177475626331, 8.232603280789385e-38], [2.765282157744339e-36, 6.155231971745174e-36, 4.209034213172831]])
forces =  [[-1.27080391e-31 -7.33698977e-32 -2.13211838e-09]
 [ 8.47202603e-32 -1.46739795e-31 -2.13211838e-09]
 [ 1.27080391e-31  7.33698977e-32  2.13211838e-09]
 [ 2.54160781e-31  1.46739795e-31  2.13211838e-09]]
stress =  [-3.63144987e-10 -3.63144987e-10 -1.98588203e-10  6.99693775e-32
  1.21190517e-32  1.24886434e-25]
energy per atom =  -6.53656752794158
===============================================