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:
MEAM_LAMMPS_Lee_2007_Si__MO_774917820956_001
==== 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 16:32:12      -48.214282         0.405501
BFGS:    1 16:32:12      -48.221180         0.388360
BFGS:    2 16:32:12      -48.268168         0.237181
BFGS:    3 16:32:12      -48.292042         0.080167
BFGS:    4 16:32:12      -48.295035         0.002272
BFGS:    5 16:32:12      -48.295038         0.000021
BFGS:    6 16:32:12      -48.295038         0.000000
Minimization converged after 6 steps.
Maximum force component: 4.773110582177442e-30 eV/Angstrom
Maximum stress component: 2.1142512215830528e-10 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 2.89290136e-35 5.00000000e-01]
 [7.50000000e-01 7.31904044e-33 5.00000000e-01]
 [5.00000000e-01 2.50000000e-01 0.00000000e+00]
 [5.00000000e-01 7.50000000e-01 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 2.50000000e-01]
 [3.83590745e-36 5.00000000e-01 7.50000000e-01]
 [0.00000000e+00 2.50000000e-01 5.00000000e-01]
 [1.17549435e-38 7.50000000e-01 5.00000000e-01]
 [2.50000000e-01 5.00000000e-01 0.00000000e+00]
 [7.50000000e-01 5.00000000e-01 2.89290136e-35]
 [5.00000000e-01 3.70291374e-33 7.50000000e-01]
 [5.00000000e-01 3.65952022e-33 2.50000000e-01]]
cellpar =  Cell([[6.657433850630178, -2.9028105433832643e-32, 4.12432257916637e-33], [-2.832884500967907e-32, 6.657433850630178, -2.5009493700560992e-18], [1.3570046075362555e-33, -2.500949370056194e-18, 6.657433850630178]])
forces =  [[ 1.36765346e-31 -3.21110219e-52  8.54783414e-34]
 [ 7.38532869e-31  4.81665328e-52 -1.28217512e-33]
 [ 1.70956683e-33 -2.92677841e-30  1.09948139e-48]
 [-1.17553773e-62  2.76265999e-30  1.70956683e-33]
 [ 5.89299394e-64  1.70956683e-33  2.92677841e-30]
 [-5.85423061e-64  1.07893033e-48 -2.87207227e-30]
 [ 1.80409653e-62 -4.23972573e-30  1.59270668e-48]
 [-1.92048986e-62  4.51325642e-30 -1.69546195e-48]
 [ 2.73530692e-31 -1.19266341e-63  1.69454002e-64]
 [-7.38532869e-31  3.22019122e-63 -4.57525806e-64]
 [-9.11587338e-64  1.68004866e-48 -4.47222682e-30]
 [ 9.72917373e-64 -1.79307946e-48  4.77311058e-30]]
stress =  [ 2.11425122e-10  2.11425122e-10  2.11425122e-10  2.51388535e-27
 -4.63506138e-35 -5.18431186e-52]
energy per atom =  -4.024586459859015
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0