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 13:51:40      -68.244035       35.5390
BFGS:    1 13:51:40      -73.458053       28.9662
BFGS:    2 13:51:40      -76.412565       22.4352
BFGS:    3 13:51:40      -79.196820       17.5231
BFGS:    4 13:51:40      -81.193492       13.3155
BFGS:    5 13:51:40      -82.629074        9.7522
BFGS:    6 13:51:40      -83.616296        6.7322
BFGS:    7 13:51:40      -84.242372        4.1494
BFGS:    8 13:51:40      -84.578523        1.9730
BFGS:    9 13:51:40      -84.691906        0.5767
BFGS:   10 13:51:40      -84.700871        0.7405
BFGS:   11 13:51:40      -84.714263        0.7572
BFGS:   12 13:51:40      -84.724380        0.4435
BFGS:   13 13:51:40      -84.727668        0.1342
BFGS:   14 13:51:40      -84.728232        0.0123
BFGS:   15 13:51:40      -84.728239        0.0041
BFGS:   16 13:51:40      -84.728239        0.0020
BFGS:   17 13:51:40      -84.728239        0.0002
BFGS:   18 13:51:40      -84.728239        0.0000
BFGS:   19 13:51:40      -84.728239        0.0000
BFGS:   20 13:51:40      -84.728239        0.0000
BFGS:   21 13:51:40      -84.728239        0.0000
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