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 13:15:33      -68.244035        35.538978
BFGS:    1 13:15:33      -73.458053        28.966163
BFGS:    2 13:15:33      -76.412565        22.435216
BFGS:    3 13:15:33      -79.196820        17.523096
BFGS:    4 13:15:33      -81.193492        13.315486
BFGS:    5 13:15:34      -82.629074         9.752237
BFGS:    6 13:15:34      -83.616296         6.732217
BFGS:    7 13:15:34      -84.242372         4.149448
BFGS:    8 13:15:34      -84.578523         1.972986
BFGS:    9 13:15:34      -84.691906         0.576662
BFGS:   10 13:15:34      -84.700871         0.740525
BFGS:   11 13:15:34      -84.714263         0.757229
BFGS:   12 13:15:35      -84.724380         0.443486
BFGS:   13 13:15:35      -84.727668         0.134185
BFGS:   14 13:15:35      -84.728232         0.012273
BFGS:   15 13:15:35      -84.728239         0.004146
BFGS:   16 13:15:35      -84.728239         0.001950
BFGS:   17 13:15:35      -84.728239         0.000204
BFGS:   18 13:15:35      -84.728239         0.000019
BFGS:   19 13:15:35      -84.728239         0.000002
BFGS:   20 13:15:35      -84.728239         0.000000
BFGS:   21 13:15:35      -84.728239         0.000000
Minimization converged after 21 steps.
Maximum force component: 2.4365924279590952e-09 eV/Angstrom
Maximum stress component: 8.85767721888382e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['N', 'N', 'Ti', 'Ti', 'Ti', 'Ti']
basis =  [[0.         0.         0.        ]
 [0.5        0.5        0.5       ]
 [0.28984364 0.28984364 0.        ]
 [0.71015636 0.71015636 0.        ]
 [0.21015636 0.78984364 0.5       ]
 [0.78984364 0.21015636 0.5       ]]
cellpar =  Cell([[5.452035852153942, 5.131026357116968e-35, -6.490138242748163e-32], [7.389228463487516e-35, 5.4520358521539425, -2.659471317676656e-18], [4.457304612460533e-33, -1.4880745857995654e-18, 3.1346651996268666]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-2.43659243e-09 -2.43659243e-09  1.18855559e-27]
 [ 2.43659243e-09  2.43659243e-09 -1.18855559e-27]
 [ 2.43659243e-09 -2.43659243e-09  1.18856525e-27]
 [-2.43659243e-09  2.43659243e-09 -1.18857491e-27]]
stress =  [ 8.85767722e-11  8.85767722e-11 -4.30504623e-11  2.26000409e-26
  4.86826675e-33 -6.21508470e-49]
energy per atom =  -14.12137320682146
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0