element(s):
['Si', 'Ti']
AFLOW prototype label:
A2B_tI6_139_e_a
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:
['3.2131', '2.6693847', '0.67822114']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Si', 'Ti']
representative atom coordinates =  [[0.         0.         0.67822114]
 [0.         0.         0.        ]]
spacegroup =  139
cell =  [[3.2131, 0, 0], [0, 3.2131, 0], [0, 0, 8.577]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 17:15:51      -82.030911        13.869483
BFGS:    1 17:15:51      -84.404674        13.856149
BFGS:    2 17:15:51      -86.550541        13.793364
BFGS:    3 17:15:51      -88.482790        13.624915
BFGS:    4 17:15:51      -90.238157        13.305203
BFGS:    5 17:15:51      -91.852848        12.860547
BFGS:    6 17:15:51      -93.345165        12.269048
BFGS:    7 17:15:51      -94.716907        11.467312
BFGS:    8 17:15:52      -95.962356        10.449286
BFGS:    9 17:15:52      -97.066262         9.193138
BFGS:   10 17:15:52      -98.004550         7.613250
BFGS:   11 17:15:52      -98.751701         5.719100
BFGS:   12 17:15:52      -99.272830         3.407579
BFGS:   13 17:15:53      -99.538370         1.948623
BFGS:   14 17:15:53      -99.577245         1.789225
BFGS:   15 17:15:53      -99.591031         1.398214
BFGS:   16 17:15:53      -99.613275         0.099758
BFGS:   17 17:15:53      -99.613423         0.096560
BFGS:   18 17:15:53      -99.613557         0.000922
BFGS:   19 17:15:53      -99.613557         0.000064
BFGS:   20 17:15:53      -99.613557         0.000001
BFGS:   21 17:15:53      -99.613557         0.000000
BFGS:   22 17:15:53      -99.613557         0.000000
Minimization converged after 22 steps.
Maximum force component: 2.087821294972579e-11 eV/Angstrom
Maximum stress component: 1.6461405600150538e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Si', 'Si', 'Si', 'Si', 'Ti', 'Ti']
basis =  [[1.05402929e-33 0.00000000e+00 6.98791910e-01]
 [0.00000000e+00 0.00000000e+00 3.01208090e-01]
 [5.00000000e-01 5.00000000e-01 1.98791910e-01]
 [5.00000000e-01 5.00000000e-01 8.01208090e-01]
 [0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]]
cellpar =  Cell([[2.852545890687525, 1.7886851285987615e-35, 1.1728797746780903e-32], [2.6405111716817806e-35, 2.8525458906875243, -2.28776372598764e-18], [1.6040166468829515e-32, -2.580772870166574e-18, 8.658089458459127]])
forces =  [[ 3.86794353e-44 -6.36394569e-30  2.08782129e-11]
 [-3.86794353e-44  6.36394569e-30 -2.08782129e-11]
 [ 3.86794353e-44 -6.15298364e-30  2.08782129e-11]
 [-3.86794353e-44  6.43426638e-30 -2.08782129e-11]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [-1.00932725e-11 -1.00932725e-11 -1.64614056e-11  1.58899370e-26
 -2.62253272e-43  2.65137836e-58]
energy per atom =  -16.60225946780962
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0