element(s):
['C']
AFLOW prototype label:
A_hR2_166_c
Parameter names:
['a', 'c/a', 'x1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.4675532', '5.0459694', '0.83331463']
model name:
Sim_LAMMPS_GWZBL_Samolyuk_2016_SiC__SM_720598599889_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['C']
representative atom coordinates =  [[0.         0.         0.33331463]]
spacegroup =  166
cell =  [[2.4676, 0, 0], [-1.2338, 2.1370042863785, 0], [0, 0, 12.4512]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:54:28      -27.877864       23.0482
BFGS:    1 15:54:28      -29.576589       10.7574
BFGS:    2 15:54:28      -30.088384        3.3635
BFGS:    3 15:54:28      -30.219325        3.2147
BFGS:    4 15:54:28      -30.522617        2.8543
BFGS:    5 15:54:28      -30.790789        2.5121
BFGS:    6 15:54:28      -31.025609        2.1871
BFGS:    7 15:54:28      -31.228748        1.8783
BFGS:    8 15:54:28      -31.401790        1.5850
BFGS:    9 15:54:28      -31.546235        1.3063
BFGS:   10 15:54:28      -31.663510        1.0415
BFGS:   11 15:54:28      -31.754975        0.7900
BFGS:   12 15:54:28      -31.821923        0.5511
BFGS:   13 15:54:28      -31.865588        0.3242
BFGS:   14 15:54:28      -31.887150        0.1089
BFGS:   15 15:54:28      -31.889999        0.0042
BFGS:   16 15:54:28      -31.890003        0.0011
BFGS:   17 15:54:28      -31.890003        0.0009
BFGS:   18 15:54:28      -31.890004        0.0001
BFGS:   19 15:54:28      -31.890004        0.0000
BFGS:   20 15:54:28      -31.890004        0.0000
BFGS:   21 15:54:28      -31.890004        0.0000
BFGS:   22 15:54:28      -31.890004        0.0000
Minimization converged after 22 steps.
Maximum force component: 5.17703215579016e-10 eV/Angstrom
Maximum stress component: 3.1756444956438647e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'C', 'C', 'C', 'C']
basis =  [[0.00000000e+00 0.00000000e+00 3.33333333e-01]
 [0.00000000e+00 1.00000000e+00 6.66666667e-01]
 [6.66666667e-01 3.33333333e-01 6.66666667e-01]
 [6.66666667e-01 3.33333333e-01 3.47307793e-12]
 [3.33333333e-01 6.66666667e-01 1.00000000e+00]
 [3.33333333e-01 6.66666667e-01 3.33333333e-01]]
cellpar =  Cell([[2.7513698714107493, 3.8933899412687115e-18, -3.9196156013211405e-23], [-1.3756849357053746, 2.382756203848832, -8.765159353573849e-18], [-1.9249728739809208e-22, 4.440886531220006e-16, 12.451199552210321]])
forces =  [[-3.39600006e-31  1.84645241e-26  5.17703216e-10]
 [-2.33157139e-31 -1.84645763e-26 -5.17703216e-10]
 [-2.49164667e-31  1.84645763e-26  5.17703216e-10]
 [-2.03012026e-31 -1.84646285e-26 -5.17703216e-10]
 [-1.58729329e-31  1.84646285e-26  5.17703216e-10]
 [-2.93447365e-31 -1.84645241e-26 -5.17703216e-10]]
stress =  [ 3.17564450e-12  3.17564450e-12  1.64577773e-21 -1.13263598e-28
  4.97183931e-35 -7.26371875e-28]
energy per atom =  -5.315000584088767
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0