element(s):
['Si']
AFLOW prototype label:
A_tI8_139_h
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:
['6.6881', '0.57703982', '0.8213634']
model name:
Sim_LAMMPS_MEAM_DuLenoskyHennig_2011_Si__SM_662785656123_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si']
representative atom coordinates =  [[0.8213634 0.8213634 0.       ]]
spacegroup =  139
cell =  [[6.6881, 0, 0], [0, 6.6881, 0], [0, 0, 3.8593]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:31:13      -36.168112         0.719046
BFGS:    1 16:31:13      -36.187864         0.697023
BFGS:    2 16:31:13      -36.252824         0.548527
BFGS:    3 16:31:13      -36.286816         0.358557
BFGS:    4 16:31:13      -36.304935         0.404590
BFGS:    5 16:31:13      -36.314572         0.400411
BFGS:    6 16:31:13      -36.319446         0.331859
BFGS:    7 16:31:13      -36.322367         0.268977
BFGS:    8 16:31:13      -36.328257         0.165664
BFGS:    9 16:31:13      -36.334566         0.161669
BFGS:   10 16:31:13      -36.338530         0.083522
BFGS:   11 16:31:13      -36.339493         0.021172
BFGS:   12 16:31:13      -36.339562         0.003403
BFGS:   13 16:31:13      -36.339563         0.000153
BFGS:   14 16:31:13      -36.339563         0.000011
BFGS:   15 16:31:13      -36.339563         0.000000
BFGS:   16 16:31:13      -36.339563         0.000000
BFGS:   17 16:31:13      -36.339563         0.000000
Minimization converged after 17 steps.
Maximum force component: 5.545339534784869e-10 eV/Angstrom
Maximum stress component: 1.123280355613649e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']
basis =  [[8.18646567e-01 8.18646567e-01 0.00000000e+00]
 [1.81353433e-01 1.81353433e-01 0.00000000e+00]
 [1.81353433e-01 8.18646567e-01 4.92400816e-34]
 [8.18646567e-01 1.81353433e-01 0.00000000e+00]
 [3.18646567e-01 3.18646567e-01 5.00000000e-01]
 [6.81353433e-01 6.81353433e-01 5.00000000e-01]
 [6.81353433e-01 3.18646567e-01 5.00000000e-01]
 [3.18646567e-01 6.81353433e-01 5.00000000e-01]]
cellpar =  Cell([[6.509225593074172, -7.276997411201667e-36, 5.187298432579507e-33], [-1.2077652709864022e-35, 6.509225593074171, -3.314348800631554e-18], [1.844036492890631e-32, -2.0360390900543984e-18, 3.911305348136228]])
forces =  [[ 5.54533953e-10  5.54533953e-10 -2.82356006e-28]
 [-5.54533953e-10 -5.54533953e-10  2.82380112e-28]
 [-5.54533953e-10  5.54533953e-10 -2.82380112e-28]
 [ 5.54533953e-10 -5.54533953e-10  2.82356006e-28]
 [ 5.54533953e-10  5.54533953e-10 -2.82356006e-28]
 [-5.54533953e-10 -5.54533953e-10  2.82331901e-28]
 [-5.54533953e-10  5.54533953e-10 -2.82331901e-28]
 [ 5.54533953e-10 -5.54533953e-10  2.82356006e-28]]
stress =  [1.12328036e-10 1.12328036e-10 2.33918456e-11 9.93578080e-27
 1.51293205e-35 1.00930413e-51]
energy per atom =  -4.542445395778033
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0