element(s):
['Al', 'N', 'Ti']
AFLOW prototype label:
ABC2_hP8_194_c_a_f
Parameter names:
['a', 'c/a', 'z3']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.0295', '4.5587721', '0.58708212']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'N', 'Ti']
representative atom coordinates =  [[0.33333333 0.66666667 0.25      ]
 [0.         0.         0.        ]
 [0.33333333 0.66666667 0.58708212]]
spacegroup =  194
cell =  [[3.0295, 0, 0], [-1.51475, 2.623623960765, 0], [0, 0, 13.8108]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 18:51:36      -98.648931        46.486018
BFGS:    1 18:51:36     -107.115973        29.805567
BFGS:    2 18:51:36     -111.860473        18.120033
BFGS:    3 18:51:37     -114.442795         8.473513
BFGS:    4 18:51:37     -115.313339         2.127220
BFGS:    5 18:51:37     -115.390954         1.007773
BFGS:    6 18:51:37     -115.407488         0.288257
BFGS:    7 18:51:37     -115.410080         0.234873
BFGS:    8 18:51:38     -115.413652         0.219016
BFGS:    9 18:51:38     -115.415640         0.115662
BFGS:   10 18:51:38     -115.416253         0.039022
BFGS:   11 18:51:38     -115.416310         0.005959
BFGS:   12 18:51:38     -115.416312         0.000367
BFGS:   13 18:51:38     -115.416312         0.000029
BFGS:   14 18:51:38     -115.416312         0.000003
BFGS:   15 18:51:39     -115.416312         0.000000
BFGS:   16 18:51:39     -115.416312         0.000000
Minimization converged after 16 steps.
Maximum force component: 3.1845752031403977e-09 eV/Angstrom
Maximum stress component: 5.89921405064432e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'N', 'N', '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 3.33333336e-09 0.00000000e+00]
 [9.99999997e-01 3.33333336e-09 5.00000000e-01]
 [3.33333330e-01 6.66666670e-01 6.01301287e-01]
 [6.66666663e-01 3.33333337e-01 1.01301287e-01]
 [6.66666663e-01 3.33333337e-01 3.98698713e-01]
 [3.33333330e-01 6.66666670e-01 8.98698713e-01]]
cellpar =  Cell([[3.032624927599529, 3.685729179672651e-18, -2.2792275372650584e-36], [-1.5163124637997645, 2.626330227451137, 5.5847749778947304e-36], [8.713424865594894e-37, -1.1249632578146709e-34, 14.061638661586485]])
forces =  [[ 4.98399843e-32 -2.58976155e-31 -4.75784935e-67]
 [-1.74439945e-31  1.29488078e-31  3.50267061e-67]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 3.98719874e-31 -2.54768455e-44  3.18457520e-09]
 [-8.97119717e-31  1.72650770e-31  3.18457520e-09]
 [-4.98399843e-31  1.72650770e-31 -3.18457520e-09]
 [ 9.96799686e-32 -1.72650770e-31 -3.18457520e-09]]
stress =  [5.89921405e-10 5.89921405e-10 3.70804350e-10 2.49207987e-32
 1.84988955e-32 1.90350918e-25]
energy per atom =  -14.42703894579394
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0