element(s):
['C']
AFLOW prototype label:
A_mC16_12_4i
Parameter names:
['a', 'b/a', 'c/a', 'beta', 'x1', 'z1', 'x2', 'z2', 'x3', 'z3', 'x4', 'z4']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['9.1921', '0.27467064', '0.45133321', '82.971', '0.94271241', '0.87955035', '0.44178398', '0.65364615', '0.78567809', '0.059238811', '0.27133365', '0.58534651']
model name:
Tersoff_LAMMPS_ErhartAlbe_2005_SiC__MO_903987585848_005
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'C', 'C', 'C']
representative atom coordinates =  [[0.05728759 0.         0.12044965]
 [0.55821602 0.         0.34635385]
 [0.21432191 0.         0.94076119]
 [0.72866635 0.         0.41465349]]
spacegroup =  12
cell =  [[9.1921, 0, 0], [0, 2.5248, 0], [0.50768347396664, 0, 4.1175197850479]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 16:15:23     -110.426006        2.2980
BFGS:    1 16:15:23     -110.483403        2.0656
BFGS:    2 16:15:23     -110.581614        0.5681
BFGS:    3 16:15:23     -110.588490        0.5383
BFGS:    4 16:15:23     -110.615895        0.3909
BFGS:    5 16:15:23     -110.637172        0.3539
BFGS:    6 16:15:23     -110.654104        0.3033
BFGS:    7 16:15:23     -110.664462        0.1570
BFGS:    8 16:15:23     -110.666071        0.0625
BFGS:    9 16:15:23     -110.666308        0.0603
BFGS:   10 16:15:23     -110.666651        0.0581
BFGS:   11 16:15:23     -110.667119        0.0695
BFGS:   12 16:15:23     -110.667948        0.0832
BFGS:   13 16:15:23     -110.668572        0.0536
BFGS:   14 16:15:23     -110.668786        0.0172
BFGS:   15 16:15:23     -110.668814        0.0156
BFGS:   16 16:15:23     -110.668823        0.0142
BFGS:   17 16:15:23     -110.668840        0.0109
BFGS:   18 16:15:23     -110.668866        0.0092
BFGS:   19 16:15:23     -110.668890        0.0067
BFGS:   20 16:15:23     -110.668900        0.0022
BFGS:   21 16:15:23     -110.668901        0.0005
BFGS:   22 16:15:23     -110.668901        0.0002
BFGS:   23 16:15:23     -110.668901        0.0002
BFGS:   24 16:15:23     -110.668901        0.0002
BFGS:   25 16:15:23     -110.668901        0.0002
BFGS:   26 16:15:23     -110.668901        0.0001
BFGS:   27 16:15:23     -110.668901        0.0001
BFGS:   28 16:15:23     -110.668901        0.0000
BFGS:   29 16:15:23     -110.668901        0.0000
BFGS:   30 16:15:23     -110.668901        0.0000
BFGS:   31 16:15:23     -110.668901        0.0000
BFGS:   32 16:15:23     -110.668901        0.0000
BFGS:   33 16:15:23     -110.668901        0.0000
BFGS:   34 16:15:23     -110.668901        0.0000
Minimization converged after 34 steps.
Maximum force component: 2.738686250003397e-09 eV/Angstrom
Maximum stress component: 1.990285186801183e-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 =  [[0.05586067 0.         0.11992647]
 [0.94413933 0.         0.88007353]
 [0.55586067 0.5        0.11992647]
 [0.44413933 0.5        0.88007353]
 [0.55735632 0.         0.34512226]
 [0.44264368 0.         0.65487774]
 [0.05735632 0.5        0.34512226]
 [0.94264368 0.5        0.65487774]
 [0.21543502 0.         0.94392052]
 [0.78456498 0.         0.05607948]
 [0.71543502 0.5        0.94392052]
 [0.28456498 0.5        0.05607948]
 [0.72848164 0.         0.4196212 ]
 [0.27151836 0.         0.5803788 ]
 [0.22848164 0.5        0.4196212 ]
 [0.77151836 0.5        0.5803788 ]]
cellpar =  Cell([[9.193511771698265, -2.465701561073651e-19, 0.07401294365971847], [-7.092321672203173e-20, 2.5590576875283877, 2.222608173176023e-19], [0.54089203591191, 3.3686499779236867e-19, 4.135012980150554]])
forces =  [[ 1.26645916e-12 -2.04130946e-28 -2.40228112e-09]
 [-1.26645916e-12  2.04383288e-28  2.40228112e-09]
 [ 1.26645916e-12 -2.04194031e-28 -2.40228112e-09]
 [-1.26645916e-12  2.04383288e-28  2.40228112e-09]
 [-7.43017217e-10  2.53401100e-28  2.73868625e-09]
 [ 7.43017217e-10 -2.53401100e-28 -2.73868625e-09]
 [-7.43017217e-10  2.53401100e-28  2.73868625e-09]
 [ 7.43017217e-10 -2.53401100e-28 -2.73868625e-09]
 [-1.57808173e-09  1.64429456e-28  1.42274167e-09]
 [ 1.57808173e-09 -1.64429456e-28 -1.42274167e-09]
 [-1.57808173e-09  1.64429456e-28  1.42274167e-09]
 [ 1.57808173e-09 -1.64429456e-28 -1.42274167e-09]
 [-2.97471006e-10 -4.03572525e-29 -5.70616832e-10]
 [ 2.97471006e-10  4.03572525e-29  5.70616832e-10]
 [-2.97471006e-10 -4.03572525e-29 -5.70616832e-10]
 [ 2.97471006e-10  4.03572525e-29  5.70616832e-10]]
stress =  [-6.57759386e-11 -5.50758717e-11  1.99028519e-10 -6.07418432e-31
 -2.58638372e-11 -1.72004692e-30]
energy per atom =  -6.91680630094917
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0