element(s):
['C', 'Si']
AFLOW prototype label:
AB_hP4_186_b_b
Parameter names:
['a', 'c/a', 'z1', 'z2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.0918', '1.6407271', '8.9172044e-05', '0.37591083']
model name:
Tersoff_LAMMPS_ErhartAlbe_2005_SiC__MO_903987585848_005
==== Building ASE atoms object with: ====
representative atom symbols =  ['C', 'Si']
representative atom coordinates =  [[0.33333333 0.66666667 0.50008917]
 [0.33333333 0.66666667 0.87591083]]
spacegroup =  186
cell =  [[3.0918, 0, 0], [-1.5459, 2.6775773434207, 0], [0, 0, 5.0728]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:41:16      -25.348984        0.3498
BFGS:    1 15:41:16      -25.352138        0.2552
BFGS:    2 15:41:16      -25.354445        0.1354
BFGS:    3 15:41:16      -25.355911        0.1077
BFGS:    4 15:41:16      -25.356599        0.0442
BFGS:    5 15:41:16      -25.356667        0.0125
BFGS:    6 15:41:16      -25.356676        0.0110
BFGS:    7 15:41:16      -25.356685        0.0105
BFGS:    8 15:41:16      -25.356694        0.0066
BFGS:    9 15:41:16      -25.356696        0.0026
BFGS:   10 15:41:16      -25.356696        0.0004
BFGS:   11 15:41:16      -25.356696        0.0000
BFGS:   12 15:41:16      -25.356696        0.0000
BFGS:   13 15:41:16      -25.356696        0.0000
BFGS:   14 15:41:16      -25.356696        0.0000
Minimization converged after 14 steps.
Maximum force component: 5.143477865843239e-10 eV/Angstrom
Maximum stress component: 1.304789909501408e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['C', 'C', 'Si', 'Si']
basis =  [[3.33333330e-01 6.66666670e-01 5.00500000e-01]
 [6.66666663e-01 3.33333337e-01 5.00000002e-04]
 [3.33333330e-01 6.66666670e-01 8.75500000e-01]
 [6.66666663e-01 3.33333337e-01 3.75500000e-01]]
cellpar =  Cell([[3.0825103790139607, -8.759630137697294e-19, -2.437125138077013e-37], [-1.5412551895069804, 2.6695322956552885, 1.9952106816388517e-38], [-3.4923646621588584e-37, 2.2675235059317994e-37, 5.033718370322078]])
forces =  [[-5.57258150e-31  2.63236208e-31 -5.14347398e-10]
 [ 6.90240209e-31 -1.42586279e-31 -5.14347398e-10]
 [-4.05278655e-31  3.50981611e-31  5.14347787e-10]
 [ 5.69923108e-31 -2.85172559e-31  5.14347787e-10]]
stress =  [-1.30478991e-11 -1.30478991e-11 -1.00254131e-11  2.44604870e-33
 -9.09304853e-48  5.31928006e-27]
energy per atom =  -6.339174124308629
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0