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 10:53:11      -48.445424         9.218019
BFGS:    1 10:53:11      -48.963921         8.556600
BFGS:    2 10:53:11      -49.490242         8.055617
BFGS:    3 10:53:11      -50.027758         7.599947
BFGS:    4 10:53:11      -50.576939         7.253392
BFGS:    5 10:53:11      -51.131855         6.873160
BFGS:    6 10:53:11      -51.688613         6.517992
BFGS:    7 10:53:11      -52.240122         6.143128
BFGS:    8 10:53:11      -52.780250         5.771590
BFGS:    9 10:53:11      -53.296122         5.405023
BFGS:   10 10:53:11      -53.779097         4.969671
BFGS:   11 10:53:11      -54.218148         4.452193
BFGS:   12 10:53:11      -54.601569         3.858319
BFGS:   13 10:53:11      -54.912466         3.227396
BFGS:   14 10:53:11      -55.147451         2.529670
BFGS:   15 10:53:11      -55.306914         1.765893
BFGS:   16 10:53:11      -55.392305         1.366621
BFGS:   17 10:53:11      -55.413065         1.023086
BFGS:   18 10:53:11      -55.424052         0.903310
BFGS:   19 10:53:11      -55.440290         0.385163
BFGS:   20 10:53:11      -55.442538         0.091759
BFGS:   21 10:53:11      -55.442737         0.007638
BFGS:   22 10:53:11      -55.442741         0.001230
BFGS:   23 10:53:11      -55.442741         0.000087
BFGS:   24 10:53:11      -55.442741         0.000013
BFGS:   25 10:53:11      -55.442741         0.000000
BFGS:   26 10:53:11      -55.442741         0.000000
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.