element(s):
['Al', 'N', 'Ti']
AFLOW prototype label:
AB3C4_hP16_194_c_af_ef
Parameter names:
['a', 'c/a', 'z3', 'z4', 'z5']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.0384', '7.8356043', '0.15529686', '0.60528139', '0.053831203']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'N', 'N', 'Ti', 'Ti']
representative atom coordinates =  [[0.33333333 0.66666667 0.25      ]
 [0.         0.         0.        ]
 [0.33333333 0.66666667 0.60528139]
 [0.         0.         0.65529686]
 [0.33333333 0.66666667 0.0538312 ]]
spacegroup =  194
cell =  [[3.0384, 0, 0], [-1.5192, 2.6313315868586, 0], [0, 0, 23.8077]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 14:16:43     -221.170335       45.2301
BFGS:    1 14:16:43     -231.225735       29.5590
BFGS:    2 14:16:43     -237.814200       25.2428
BFGS:    3 14:16:43     -242.400174       16.7117
BFGS:    4 14:16:43     -246.942122       11.8659
BFGS:    5 14:16:43     -249.233933        7.8283
BFGS:    6 14:16:43     -250.499809        5.0327
BFGS:    7 14:16:43     -251.215958        3.6039
BFGS:    8 14:16:44     -251.615130        2.4382
BFGS:    9 14:16:44     -251.814930        1.4041
BFGS:   10 14:16:44     -251.884679        0.5140
BFGS:   11 14:16:44     -251.891827        0.2907
BFGS:   12 14:16:44     -251.897718        0.2981
BFGS:   13 14:16:44     -251.904061        0.3073
BFGS:   14 14:16:44     -251.910900        0.2427
BFGS:   15 14:16:44     -251.919762        0.3164
BFGS:   16 14:16:44     -251.926916        0.2375
BFGS:   17 14:16:44     -251.929767        0.0853
BFGS:   18 14:16:44     -251.930186        0.0188
BFGS:   19 14:16:44     -251.930200        0.0035
BFGS:   20 14:16:44     -251.930200        0.0008
BFGS:   21 14:16:44     -251.930200        0.0002
BFGS:   22 14:16:44     -251.930200        0.0000
BFGS:   23 14:16:44     -251.930200        0.0000
BFGS:   24 14:16:44     -251.930200        0.0000
BFGS:   25 14:16:45     -251.930200        0.0000
BFGS:   26 14:16:45     -251.930200        0.0000
BFGS:   27 14:16:45     -251.930200        0.0000
BFGS:   28 14:16:45     -251.930200        0.0000
Minimization converged after 28 steps.
Maximum force component: 4.785266842730084e-09 eV/Angstrom
Maximum stress component: 1.5878724098417072e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'N', 'N', 'N', 'N', 'N', 'N', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti', 'Ti']
basis =  [[3.33333330e-01 6.66666670e-01 2.50000000e-01]
 [6.66666663e-01 3.33333337e-01 7.50000000e-01]
 [9.99999997e-01 3.33333337e-09 0.00000000e+00]
 [9.99999997e-01 3.33333337e-09 5.00000000e-01]
 [3.33333330e-01 6.66666670e-01 6.11000102e-01]
 [6.66666663e-01 3.33333337e-01 1.11000102e-01]
 [6.66666663e-01 3.33333337e-01 3.88999898e-01]
 [3.33333330e-01 6.66666670e-01 8.88999898e-01]
 [9.99999997e-01 3.33333337e-09 6.66797608e-01]
 [9.99999997e-01 3.33333337e-09 1.66797608e-01]
 [9.99999997e-01 3.33333337e-09 3.33202392e-01]
 [9.99999997e-01 3.33333337e-09 8.33202392e-01]
 [3.33333330e-01 6.66666670e-01 5.54210895e-02]
 [6.66666663e-01 3.33333337e-01 5.55421090e-01]
 [6.66666663e-01 3.33333337e-01 9.44578910e-01]
 [3.33333330e-01 6.66666670e-01 4.44578910e-01]]
cellpar =  Cell([[3.090836536619942, 4.061745333208539e-18, 3.7405689011282076e-22], [-1.545418268309971, 2.6767429596579824, 7.481137802248278e-22], [2.9979789941818068e-21, 8.65441989657847e-21, 24.753930188776607]])
forces =  [[ 4.76218771e-33 -8.24835107e-33 -3.55968371e-31]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 4.61212746e-33 -1.98095393e-30 -4.78526684e-09]
 [ 3.00104619e-32 -2.02494513e-30 -4.78526684e-09]
 [ 7.82736241e-31  1.32108584e-30  4.78526684e-09]
 [ 2.00185629e-30  6.17226550e-31  4.78526684e-09]
 [-7.83995174e-31  2.66381592e-30  3.59277064e-09]
 [-1.74435147e-31  1.25609733e-30  3.59277064e-09]
 [-1.24787158e-30 -5.52238042e-31 -3.59277064e-09]
 [-2.08601662e-30 -5.08246836e-31 -3.59277064e-09]
 [-1.90728342e-30  3.87893757e-30  3.54519843e-09]
 [ 4.25181269e-30  2.49663103e-31  3.54519843e-09]
 [ 2.00887676e-30 -4.05490240e-30 -3.54519843e-09]
 [-2.66441678e-30 -1.83676294e-31 -3.54519843e-09]]
stress =  [-5.70546117e-11 -5.70546117e-11 -1.58787241e-10  2.95055837e-28
  1.02207591e-28 -2.05075480e-26]
energy per atom =  -15.745637526767334
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0