element(s):
['Si']
AFLOW prototype label:
A_hP4_194_f
Parameter names:
['a', 'c/a', 'z1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.8496', '1.6527431', '0.56294015']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si']
representative atom coordinates =  [[0.33333333 0.66666667 0.56294015]]
spacegroup =  194
cell =  [[3.8496, 0, 0], [-1.9248, 3.3338513944086, 0], [0, 0, 6.3624]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 15:31:16      -31.145996       10.2058
BFGS:    1 15:31:16      -32.594660       10.1585
BFGS:    2 15:31:16      -33.999718        9.9374
BFGS:    3 15:31:16      -35.355195        9.4097
BFGS:    4 15:31:16      -36.622362        8.5607
BFGS:    5 15:31:16      -37.754408        7.3289
BFGS:    6 15:31:16      -38.679862        5.6205
BFGS:    7 15:31:16      -39.311030        3.2944
BFGS:    8 15:31:16      -39.561171        0.2268
BFGS:    9 15:31:16      -39.561693        0.0799
BFGS:   10 15:31:16      -39.561900        0.1674
BFGS:   11 15:31:16      -39.563655        0.2878
BFGS:   12 15:31:16      -39.573325        0.4067
BFGS:   13 15:31:16      -39.609727        0.7870
BFGS:   14 15:31:16      -39.721657        1.4393
BFGS:   15 15:31:16      -39.898243        2.0989
BFGS:   16 15:31:16      -40.140688        2.7862
BFGS:   17 15:31:16      -40.452562        3.4936
BFGS:   18 15:31:16      -40.839005        4.2888
BFGS:   19 15:31:16      -41.300224        5.1254
BFGS:   20 15:31:16      -41.843366        6.0360
BFGS:   21 15:31:16      -42.477167        6.9370
BFGS:   22 15:31:16      -43.208070        7.8851
BFGS:   23 15:31:16      -44.040741        8.9070
BFGS:   24 15:31:16      -44.974363        9.8018
BFGS:   25 15:31:16      -46.013528       10.6532
BFGS:   26 15:31:16      -47.136707       11.1201
BFGS:   27 15:31:16      -48.323555       11.1111
BFGS:   28 15:31:16      -49.493786        9.9855
BFGS:   29 15:31:16      -50.539202        6.9596
BFGS:   30 15:31:16      -51.190609        1.7860
BFGS:   31 15:31:16      -51.222640        1.4138
BFGS:   32 15:31:17      -51.230704        0.1365
BFGS:   33 15:31:17      -51.230961        0.0720
BFGS:   34 15:31:17      -51.230988        0.0021
BFGS:   35 15:31:17      -51.230988        0.0000
BFGS:   36 15:31:17      -51.230988        0.0000
BFGS:   37 15:31:17      -51.230988        0.0000
BFGS:   38 15:31:17      -51.230988        0.0000
Minimization converged after 38 steps.
Maximum force component: 1.6913623358317568e-10 eV/Angstrom
Maximum stress component: 3.560297901522502e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si']
basis =  [[3.33333330e-01 6.66666670e-01 5.00000000e-01]
 [6.66666663e-01 3.33333337e-01 1.00000000e+00]
 [6.66666663e-01 3.33333337e-01 5.00000000e-01]
 [3.33333330e-01 6.66666670e-01 1.07691633e-13]]
cellpar =  Cell([[3.688273443836346, 2.9926523174598573e-17, 3.123327944682316e-35], [-1.844136721918173, 3.1941384984657955, 2.2061345721156277e-35], [3.3344883362276295e-35, 1.1766663792673788e-34, 4.278311037198998]])
forces =  [[ 1.31823702e-45  4.65176369e-45  1.69136234e-10]
 [ 7.27383682e-31 -1.25986549e-30  1.69136234e-10]
 [ 1.93968982e-30 -4.63602512e-45 -1.69136234e-10]
 [ 2.42461227e-31 -4.19955165e-31 -1.69136234e-10]]
stress =  [ 9.14543060e-12  9.14543060e-12 -3.56029790e-11 -1.80394942e-33
 -3.12453205e-33  4.33612237e-27]
energy per atom =  -12.807747079674114
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is A_hP4_194_f, while relaxed is A_hP2_191_c. Skipping parameter set 0.
No parameter sets in this group successfully added a property instance. Skipping this group.