element(s):
['N', 'Ti']
AFLOW prototype label:
AB2_tP6_136_a_f
Parameter names:
['a', 'c/a', 'x2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.0427', '0.61086323', '0.29659081']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['N', 'Ti']
representative atom coordinates =  [[0.         0.         0.        ]
 [0.29659081 0.29659081 0.        ]]
spacegroup =  136
cell =  [[5.0427, 0, 0], [0, 5.0427, 0], [0, 0, 3.0804]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:56:34      -68.244035        35.538978
BFGS:    1 16:56:34      -73.458053        28.966163
BFGS:    2 16:56:34      -76.412565        22.435216
BFGS:    3 16:56:34      -79.196820        17.523096
BFGS:    4 16:56:35      -81.193492        13.315486
BFGS:    5 16:56:35      -82.629074         9.752237
BFGS:    6 16:56:35      -83.616296         6.732217
BFGS:    7 16:56:35      -84.242372         4.149448
BFGS:    8 16:56:36      -84.578523         1.972986
BFGS:    9 16:56:36      -84.691906         0.576662
BFGS:   10 16:56:36      -84.700871         0.740525
BFGS:   11 16:56:36      -84.714263         0.757229
BFGS:   12 16:56:37      -84.724380         0.443486
BFGS:   13 16:56:37      -84.727668         0.134185
BFGS:   14 16:56:37      -84.728232         0.012273
BFGS:   15 16:56:37      -84.728239         0.004146
BFGS:   16 16:56:38      -84.728239         0.001950
BFGS:   17 16:56:38      -84.728239         0.000204
BFGS:   18 16:56:38      -84.728239         0.000019
BFGS:   19 16:56:38      -84.728239         0.000002
BFGS:   20 16:56:39      -84.728239         0.000000
BFGS:   21 16:56:39      -84.728239         0.000000
Minimization converged after 21 steps.
Maximum force component: 2.4365873749136934e-09 eV/Angstrom
Maximum stress component: 8.857173163657568e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['N', 'N', 'Ti', 'Ti', 'Ti', 'Ti']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [2.89843637e-01 2.89843637e-01 3.93214294e-33]
 [7.10156363e-01 7.10156363e-01 0.00000000e+00]
 [2.10156363e-01 7.89843637e-01 5.00000000e-01]
 [7.89843637e-01 2.10156363e-01 5.00000000e-01]]
cellpar =  Cell([[5.452035852153941, -8.168341712069376e-35, 2.7694597745479224e-34], [6.6379542969607e-35, 5.452035852153941, 1.53393158967438e-17], [6.97130701203632e-33, 9.205070405959109e-18, 3.134665199626866]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-2.43658737e-09 -2.43658737e-09 -6.85503530e-27]
 [ 2.43658737e-09  2.43658737e-09  6.85596260e-27]
 [ 2.43658737e-09 -2.43658737e-09 -6.85596260e-27]
 [-2.43658737e-09  2.43658737e-09  6.85472620e-27]]
stress =  [ 8.85717316e-11  8.85717316e-11 -4.30547731e-11 -2.13297144e-26
 -2.28630799e-43  1.83619999e-59]
energy per atom =  -14.121373206821461
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0