element(s):
['O', 'Ti']
AFLOW prototype label:
AB2_hP3_164_a_d
Parameter names:
['a', 'c/a', 'z2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.0179', '1.6325922', '0.73037115']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['O', 'Ti']
representative atom coordinates =  [[0.         0.         0.        ]
 [0.33333333 0.66666667 0.26962885]]
spacegroup =  164
cell =  [[3.0179, 0, 0], [-1.50895, 2.6135780660811, 0], [0, 0, 4.927]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:17:52      -34.762944        15.024777
BFGS:    1 16:17:52      -36.600755         6.824321
BFGS:    2 16:17:52      -36.976578         5.469911
BFGS:    3 16:17:52      -37.138398         1.572966
BFGS:    4 16:17:53      -37.156532         0.225784
BFGS:    5 16:17:53      -37.157132         0.078920
BFGS:    6 16:17:53      -37.157214         0.024611
BFGS:    7 16:17:53      -37.157247         0.014650
BFGS:    8 16:17:54      -37.157251         0.003324
BFGS:    9 16:17:54      -37.157251         0.000476
BFGS:   10 16:17:54      -37.157251         0.000019
BFGS:   11 16:17:54      -37.157251         0.000000
BFGS:   12 16:17:55      -37.157251         0.000000
BFGS:   13 16:17:55      -37.157251         0.000000
Minimization converged after 13 steps.
Maximum force component: 1.0079510137645095e-09 eV/Angstrom
Maximum stress component: 1.1972642084319276e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['O', 'Ti', 'Ti']
basis =  [[0.         0.         0.        ]
 [0.33333333 0.66666667 0.2554502 ]
 [0.66666667 0.33333333 0.7445498 ]]
cellpar =  Cell([[3.111805283518879, -7.033615859821951e-18, 1.4646462716958763e-38], [-1.5559026417594395, 2.6949024271579867, -1.7769380642805483e-38], [-4.9650320515664885e-36, -3.138566570503232e-36, 5.116987888719312]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-9.20543075e-31  1.77158597e-31 -1.00795101e-09]
 [-1.02282564e-31 -1.77158597e-31  1.00795101e-09]]
stress =  [ 1.19726421e-11  1.19726421e-11 -3.66449417e-13 -1.90687289e-32
  9.47311174e-48 -1.96215819e-27]
energy per atom =  -12.38575045632924
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0