element(s):
['Si', 'Ti']
AFLOW prototype label:
AB_oC4_65_a_c
Parameter names:
['a', 'b/a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.6945', '1.1769928', '1.0407362']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si', 'Ti']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.  0.5]]
spacegroup =  65
cell =  [[3.6945, 0, 0], [0, 4.3484, 0], [0, 0, 3.845]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 16:15:12      -48.445424        9.2180
BFGS:    1 16:15:12      -48.963921        8.5566
BFGS:    2 16:15:12      -49.490242        8.0556
BFGS:    3 16:15:12      -50.027758        7.5999
BFGS:    4 16:15:12      -50.576939        7.2534
BFGS:    5 16:15:12      -51.131855        6.8732
BFGS:    6 16:15:12      -51.688613        6.5180
BFGS:    7 16:15:12      -52.240122        6.1431
BFGS:    8 16:15:12      -52.780250        5.7716
BFGS:    9 16:15:12      -53.296122        5.4050
BFGS:   10 16:15:12      -53.779097        4.9697
BFGS:   11 16:15:12      -54.218148        4.4522
BFGS:   12 16:15:12      -54.601569        3.8583
BFGS:   13 16:15:12      -54.912466        3.2274
BFGS:   14 16:15:12      -55.147451        2.5297
BFGS:   15 16:15:12      -55.306914        1.7659
BFGS:   16 16:15:12      -55.392305        1.3666
BFGS:   17 16:15:12      -55.413065        1.0231
BFGS:   18 16:15:12      -55.424052        0.9033
BFGS:   19 16:15:12      -55.440290        0.3852
BFGS:   20 16:15:12      -55.442538        0.0918
BFGS:   21 16:15:12      -55.442737        0.0076
BFGS:   22 16:15:12      -55.442741        0.0012
BFGS:   23 16:15:12      -55.442741        0.0001
BFGS:   24 16:15:12      -55.442741        0.0000
BFGS:   25 16:15:12      -55.442741        0.0000
BFGS:   26 16:15:12      -55.442741        0.0000
Minimization converged after 26 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 3.899572904141714e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Ti', 'Ti']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0. ]
 [0.5 0.  0.5]
 [0.  0.5 0.5]]
cellpar =  Cell([[4.307921301492913, 1.783117042352516e-36, 0.0], [2.3660545275418887e-37, 4.307921301513849, 0.0], [0.0, 0.0, 3.0461603651077644]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-2.35413249e-11  3.89957290e-11  2.72644572e-12  0.00000000e+00
  0.00000000e+00 -2.65671476e-33]
energy per atom =  -13.86068518063284
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is AB_oC4_65_a_c, while relaxed is AB_cP2_221_a_b. Skipping parameter set 0.
No parameter sets in this group successfully added a property instance. Skipping this group.