element(s):
['Si']
AFLOW prototype label:
A_hP1_191_a
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['2.6513', '0.93471127']
model name:
Sim_LAMMPS_ModifiedTersoff_PurjaPunMishin_2017_Si__SM_184524061456_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si']
representative atom coordinates =  [[0 0 0]]
spacegroup =  191
cell =  [[2.6513, 0, 0], [-1.32565, 2.2960931530537, 0], [0, 0, 2.4782]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 14:40:37       -3.890419        0.9593
BFGS:    1 14:40:37       -3.900836        0.5686
BFGS:    2 14:40:37       -3.908112        0.0966
BFGS:    3 14:40:37       -3.908285        0.0316
BFGS:    4 14:40:37       -3.908309        0.0033
BFGS:    5 14:40:37       -3.908309        0.0000
BFGS:    6 14:40:37       -3.908309        0.0000
BFGS:    7 14:40:37       -3.908309        0.0000
Minimization converged after 7 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.7312926447143387e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si']
basis =  [[0. 0. 0.]]
cellpar =  Cell([[2.640598872422399, -1.1026337573278852e-18, -4.670355123945617e-38], [-1.3202994362111995, 2.286825704722341, 4.010078935151069e-37], [-5.947387654966325e-36, 1.0992206096619236e-34, 2.5697587611203345]])
forces =  [[0. 0. 0.]]
stress =  [-1.73129264e-10 -1.73129264e-10 -7.31942837e-11  2.33285569e-45
 -2.16343439e-45  8.44117486e-27]
energy per atom =  -3.908309412641098
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0