element(s):
['Si']
AFLOW prototype label:
A_hR8_148_cf
Parameter names:
['a', 'c/a', 'x1', 'x2', 'y2', 'z2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['9.4412577', '0.59921929', '0.28578699', '0.47802387', '0.97998916', '0.28193827']
model name:
MEAM_LAMMPS_Lee_2007_Si__MO_774917820956_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si', 'Si']
representative atom coordinates =  [[0.         0.         0.28578699]
 [0.73333873 0.76862656 0.24665043]]
spacegroup =  148
cell =  [[9.4413, 0, 0], [-4.72065, 8.17640564475, 0], [0, 0, 5.6574]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 01:05:34      -98.575716         2.573235
BFGS:    1 01:05:34     -100.163082         1.935223
BFGS:    2 01:05:34     -101.324838         1.523504
BFGS:    3 01:05:34     -102.113751         1.142037
BFGS:    4 01:05:34     -102.659395         0.807704
BFGS:    5 01:05:34     -102.977576         0.507159
BFGS:    6 01:05:34     -103.110786         0.486451
BFGS:    7 01:05:34     -103.134490         0.475996
BFGS:    8 01:05:35     -103.189538         0.416516
BFGS:    9 01:05:35     -103.237764         0.328451
BFGS:   10 01:05:35     -103.276630         0.289503
BFGS:   11 01:05:35     -103.303701         0.245789
BFGS:   12 01:05:35     -103.331604         0.129895
BFGS:   13 01:05:35     -103.338590         0.141431
BFGS:   14 01:05:35     -103.340405         0.143245
BFGS:   15 01:05:35     -103.345551         0.137084
BFGS:   16 01:05:35     -103.353910         0.110306
BFGS:   17 01:05:36     -103.363365         0.116990
BFGS:   18 01:05:36     -103.369763         0.107749
BFGS:   19 01:05:36     -103.371048         0.095335
BFGS:   20 01:05:36     -103.371420         0.087872
BFGS:   21 01:05:36     -103.371682         0.083133
BFGS:   22 01:05:36     -103.372466         0.070221
BFGS:   23 01:05:36     -103.373829         0.048729
BFGS:   24 01:05:36     -103.375741         0.029743
BFGS:   25 01:05:36     -103.376947         0.017053
BFGS:   26 01:05:36     -103.377234         0.006159
BFGS:   27 01:05:36     -103.377263         0.006024
BFGS:   28 01:05:36     -103.377271         0.006943
BFGS:   29 01:05:37     -103.377289         0.007803
BFGS:   30 01:05:37     -103.377315         0.006969
BFGS:   31 01:05:37     -103.377338         0.003765
BFGS:   32 01:05:37     -103.377346         0.000867
BFGS:   33 01:05:37     -103.377347         0.000095
BFGS:   34 01:05:37     -103.377347         0.000015
BFGS:   35 01:05:37     -103.377347         0.000001
BFGS:   36 01:05:37     -103.377347         0.000000
BFGS:   37 01:05:37     -103.377347         0.000000
Minimization converged after 37 steps.
Maximum force component: 5.691531667069501e-10 eV/Angstrom
Maximum stress component: 1.7737708823507885e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si', 'Si']
basis =  [[0.         0.         0.22418381]
 [0.66666667 0.33333333 0.55751715]
 [0.33333333 0.66666667 0.89085048]
 [1.         1.         0.77581619]
 [0.66666667 0.33333333 0.10914952]
 [0.33333333 0.66666667 0.44248285]
 [0.7413946  0.7586054  0.2586054 ]
 [0.2413946  0.98278921 0.2586054 ]
 [0.01721079 0.2586054  0.2586054 ]
 [0.40806127 0.09193873 0.59193873]
 [0.90806127 0.31612254 0.59193873]
 [0.68387746 0.59193873 0.59193873]
 [0.07472794 0.42527206 0.92527206]
 [0.57472794 0.64945588 0.92527206]
 [0.35054412 0.92527206 0.92527206]
 [0.2586054  0.2413946  0.7413946 ]
 [0.7586054  0.01721079 0.7413946 ]
 [0.98278921 0.7413946  0.7413946 ]
 [0.92527206 0.57472794 0.07472794]
 [0.42527206 0.35054412 0.07472794]
 [0.64945588 0.07472794 0.07472794]
 [0.59193873 0.90806127 0.40806127]
 [0.09193873 0.68387746 0.40806127]
 [0.31612254 0.40806127 0.40806127]]
cellpar =  Cell([[9.283183425314405, 9.13915028000343e-14, 8.198649234168353e-18], [-4.641591712657285, 8.039472674312869, 1.3057198388932477e-16], [5.014044876489473e-18, 4.72856834030356e-15, 5.684765645219735]])
forces =  [[-1.73509765e-28 -1.63583049e-25 -1.96662230e-10]
 [-1.73255489e-28 -1.63583313e-25 -1.96662230e-10]
 [-1.73865751e-28 -1.63582961e-25 -1.96662230e-10]
 [ 1.72289241e-28  1.63583225e-25  1.96662230e-10]
 [ 1.72746937e-28  1.63582785e-25  1.96662230e-10]
 [ 1.72645227e-28  1.63582961e-25  1.96662230e-10]
 [-3.17665533e-10 -4.73797187e-10  1.91955512e-10]
 [ 5.69153167e-10 -3.82078284e-11  1.91955512e-10]
 [-2.51487633e-10  5.12005015e-10  1.91955512e-10]
 [-3.17665533e-10 -4.73797187e-10  1.91955512e-10]
 [ 5.69153167e-10 -3.82078284e-11  1.91955512e-10]
 [-2.51487633e-10  5.12005015e-10  1.91955512e-10]
 [-3.17665533e-10 -4.73797187e-10  1.91955512e-10]
 [ 5.69153167e-10 -3.82078284e-11  1.91955512e-10]
 [-2.51487633e-10  5.12005015e-10  1.91955512e-10]
 [ 3.17665533e-10  4.73797187e-10 -1.91955512e-10]
 [-5.69153167e-10  3.82078284e-11 -1.91955512e-10]
 [ 2.51487633e-10 -5.12005015e-10 -1.91955512e-10]
 [ 3.17665533e-10  4.73797187e-10 -1.91955512e-10]
 [-5.69153167e-10  3.82078284e-11 -1.91955512e-10]
 [ 2.51487633e-10 -5.12005015e-10 -1.91955512e-10]
 [ 3.17665533e-10  4.73797187e-10 -1.91955512e-10]
 [-5.69153167e-10  3.82078284e-11 -1.91955512e-10]
 [ 2.51487633e-10 -5.12005015e-10 -1.91955512e-10]]
stress =  [5.40428443e-12 5.40428443e-12 1.77377088e-11 4.64009091e-27
 3.24707652e-27 3.57466282e-27]
energy per atom =  -4.307389473205092
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is A_hR8_148_cf, while relaxed is A_cI16_206_c. Skipping parameter set 0.
No parameter sets in this group successfully added a property instance. Skipping this group.