element(s):
['Si']
AFLOW prototype label:
A_cI16_206_c
Parameter names:
['a', 'x1']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.657', '0.10135586']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols = ['Si']
representative atom coordinates = [[0.10135586 0.10135586 0.10135586]]
spacegroup = 206
cell = [[6.657, 0, 0], [0, 6.657, 0], [0, 0, 6.657]]
=========================================
Step Time Energy fmax
BFGS: 0 15:51:33 -134.417826 11.517292
BFGS: 1 15:51:33 -136.193643 11.510580
BFGS: 2 15:51:33 -137.939261 11.509625
BFGS: 3 15:51:33 -139.673024 11.507727
BFGS: 4 15:51:33 -141.401194 11.501147
BFGS: 5 15:51:33 -143.125817 11.487909
BFGS: 6 15:51:33 -144.847413 11.466844
BFGS: 7 15:51:33 -146.565899 11.440284
BFGS: 8 15:51:33 -148.281185 11.401141
BFGS: 9 15:51:33 -149.992149 11.351878
BFGS: 10 15:51:33 -151.697906 11.291799
BFGS: 11 15:51:33 -153.397392 11.220169
BFGS: 12 15:51:33 -155.089363 11.136206
BFGS: 13 15:51:33 -156.773918 11.078024
BFGS: 14 15:51:33 -158.451667 10.967264
BFGS: 15 15:51:33 -160.117032 10.841409
BFGS: 16 15:51:34 -161.767968 10.699395
BFGS: 17 15:51:34 -163.402198 10.540071
BFGS: 18 15:51:34 -165.017200 10.362194
BFGS: 19 15:51:34 -166.610191 10.164419
BFGS: 20 15:51:34 -168.178112 9.945300
BFGS: 21 15:51:34 -169.717615 9.703280
BFGS: 22 15:51:34 -171.225048 9.436691
BFGS: 23 15:51:34 -172.696435 9.143743
BFGS: 24 15:51:34 -174.127468 8.822522
BFGS: 25 15:51:34 -175.513481 8.470988
BFGS: 26 15:51:34 -176.849437 8.086962
BFGS: 27 15:51:34 -178.129905 7.668128
BFGS: 28 15:51:34 -179.349043 7.212024
BFGS: 29 15:51:34 -180.500566 6.716037
BFGS: 30 15:51:34 -181.583213 6.229441
BFGS: 31 15:51:34 -182.586286 5.646113
BFGS: 32 15:51:34 -183.500209 5.014170
BFGS: 33 15:51:34 -184.317801 4.371998
BFGS: 34 15:51:34 -185.033011 3.633343
BFGS: 35 15:51:34 -185.632415 2.836075
BFGS: 36 15:51:34 -186.105795 1.976838
BFGS: 37 15:51:34 -186.443169 1.492860
BFGS: 38 15:51:34 -186.634000 1.208864
BFGS: 39 15:51:34 -186.680610 0.947601
BFGS: 40 15:51:34 -186.696950 0.805993
BFGS: 41 15:51:34 -186.751978 0.353523
BFGS: 42 15:51:34 -186.760942 0.108324
BFGS: 43 15:51:34 -186.761684 0.010564
BFGS: 44 15:51:34 -186.761702 0.002202
BFGS: 45 15:51:34 -186.761702 0.000112
BFGS: 46 15:51:34 -186.761702 0.000007
BFGS: 47 15:51:34 -186.761702 0.000000
BFGS: 48 15:51:34 -186.761702 0.000000
Minimization converged after 48 steps.
Maximum force component: 5.480038569217719e-10 eV/Angstrom
Maximum stress component: 1.0054948316696119e-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']
basis = [[0.10767497 0.10767497 0.10767497]
[0.39232503 0.89232503 0.60767497]
[0.89232503 0.60767497 0.39232503]
[0.60767497 0.39232503 0.89232503]
[0.60767497 0.60767497 0.60767497]
[0.89232503 0.39232503 0.10767497]
[0.39232503 0.10767497 0.89232503]
[0.10767497 0.89232503 0.39232503]
[0.89232503 0.89232503 0.89232503]
[0.60767497 0.10767497 0.39232503]
[0.10767497 0.39232503 0.60767497]
[0.39232503 0.60767497 0.10767497]
[0.39232503 0.39232503 0.39232503]
[0.10767497 0.60767497 0.89232503]
[0.60767497 0.89232503 0.10767497]
[0.89232503 0.10767497 0.60767497]]
cellpar = Cell([[5.859967311627888, -1.639654050040711e-36, 0.0], [6.783465227655086e-36, 5.859967311627888, 0.0], [0.0, 0.0, 5.859967311627888]])
forces = [[ 5.48003857e-10 5.48003857e-10 5.48003857e-10]
[-5.48003857e-10 -5.48003857e-10 5.48003857e-10]
[-5.48003857e-10 5.48003857e-10 -5.48003857e-10]
[ 5.48003857e-10 -5.48003857e-10 -5.48003857e-10]
[ 5.48003857e-10 5.48003857e-10 5.48003857e-10]
[-5.48003857e-10 -5.48003857e-10 5.48003857e-10]
[-5.48003857e-10 5.48003857e-10 -5.48003857e-10]
[ 5.48003857e-10 -5.48003857e-10 -5.48003857e-10]
[-5.48003857e-10 -5.48003857e-10 -5.48003857e-10]
[ 5.48003857e-10 5.48003857e-10 -5.48003857e-10]
[ 5.48003857e-10 -5.48003857e-10 5.48003857e-10]
[-5.48003857e-10 5.48003857e-10 5.48003857e-10]
[-5.48003857e-10 -5.48003857e-10 -5.48003857e-10]
[ 5.48003857e-10 5.48003857e-10 -5.48003857e-10]
[ 5.48003857e-10 -5.48003857e-10 5.48003857e-10]
[-5.48003857e-10 5.48003857e-10 5.48003857e-10]]
stress = [ 1.00549483e-11 1.00549483e-11 1.00549483e-11 0.00000000e+00
0.00000000e+00 -4.30736147e-33]
energy per atom = -11.67260640330385
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0