element(s):
['Si']
AFLOW prototype label:
A_cI12_229_d
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.7307']
model name:
Sim_LAMMPS_MEAM_DuLenoskyHennig_2011_Si__SM_662785656123_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si']
representative atom coordinates =  [[0.25 0.   0.5 ]]
spacegroup =  229
cell =  [[6.7307, 0, 0], [0, 6.7307, 0], [0, 0, 6.7307]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:33:57      -51.606130        0.4978
BFGS:    1 17:33:57      -51.616485        0.4731
BFGS:    2 17:33:57      -51.674156        0.2944
BFGS:    3 17:33:57      -51.704381        0.1072
BFGS:    4 17:33:57      -51.708840        0.0037
BFGS:    5 17:33:57      -51.708845        0.0000
BFGS:    6 17:33:57      -51.708845        0.0000
BFGS:    7 17:33:57      -51.708845        0.0000
Minimization converged after 7 steps.
Maximum force component: 6.042914824819782e-30 eV/Angstrom
Maximum stress component: 3.500790135779776e-15 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']
basis =  [[2.50000000e-01 0.00000000e+00 5.00000000e-01]
 [7.50000000e-01 7.26372197e-33 5.00000000e-01]
 [5.00000000e-01 2.50000000e-01 0.00000000e+00]
 [5.00000000e-01 7.50000000e-01 0.00000000e+00]
 [1.01876153e-37 5.00000000e-01 2.50000000e-01]
 [4.74116021e-37 5.00000000e-01 7.50000000e-01]
 [5.78930867e-37 2.50000000e-01 5.00000000e-01]
 [1.00406818e-36 7.50000000e-01 5.00000000e-01]
 [2.50000000e-01 5.00000000e-01 0.00000000e+00]
 [7.50000000e-01 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 3.61739142e-33 7.50000000e-01]
 [5.00000000e-01 3.66080012e-33 2.50000000e-01]]
cellpar =  Cell([[6.655106263003102, 6.05519269181223e-33, 5.3063670599631676e-33], [5.488784613315439e-33, 6.655106263003102, 1.89914823264397e-18], [2.141106125146782e-33, 1.8991482326438765e-18, 6.655106263003102]])
forces =  [[-5.19526614e-31  6.83587650e-33  1.95073411e-51]
 [-3.82809084e-31 -5.98139194e-33 -1.70689234e-51]
 [ 1.36717530e-32  4.04683889e-30  2.56345369e-33]
 [-4.98717993e-63 -6.04291482e-30 -1.02538147e-32]
 [ 6.83587650e-33  1.36717530e-32 -3.33590773e-30]
 [-5.98139194e-33  8.89534753e-49  3.11715968e-30]
 [ 2.13621141e-33 -3.28122072e-30 -1.36717530e-32]
 [ 1.36717530e-32  3.49996877e-30  9.98775863e-49]
 [-1.20311426e-30 -1.09466151e-63 -9.59288349e-64]
 [-7.10931156e-31  1.36717530e-32  5.12690737e-33]
 [-1.40189122e-63  6.83587650e-33 -4.37496096e-30]
 [ 1.40752910e-63  1.24846983e-48  4.37496096e-30]]
stress =  [-3.50079014e-15 -3.50079014e-15 -3.50079014e-15 -2.76222487e-31
 -9.27660824e-35 -1.18576445e-50]
energy per atom =  -4.309070440408746
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0