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 11:08:05      -98.648931       46.4860
BFGS:    1 11:08:05     -107.115973       29.8056
BFGS:    2 11:08:05     -111.860473       18.1200
BFGS:    3 11:08:06     -114.442795        8.4735
BFGS:    4 11:08:06     -115.313339        2.1272
BFGS:    5 11:08:06     -115.390954        1.0078
BFGS:    6 11:08:06     -115.407488        0.2883
BFGS:    7 11:08:06     -115.410080        0.2349
BFGS:    8 11:08:06     -115.413652        0.2190
BFGS:    9 11:08:06     -115.415640        0.1157
BFGS:   10 11:08:06     -115.416253        0.0390
BFGS:   11 11:08:06     -115.416310        0.0060
BFGS:   12 11:08:06     -115.416312        0.0004
BFGS:   13 11:08:06     -115.416312        0.0000
BFGS:   14 11:08:06     -115.416312        0.0000
BFGS:   15 11:08:06     -115.416312        0.0000
BFGS:   16 11:08:06     -115.416312        0.0000
Minimization converged after 16 steps.
Maximum force component: 3.1846168167158068e-09 eV/Angstrom
Maximum stress component: 5.89923597581921e-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([[3.03262492759953, 3.7829180617801824e-18, 1.2522111283960095e-36], [-1.516312463799765, 2.626330227451137, 3.9035487755033776e-36], [1.0974424584135457e-36, 2.288726663291362e-35, 14.061638661586489]])
forces =  [[ 1.24599961e-31 -2.15813463e-31 -3.20766356e-67]
 [-1.74439945e-31  1.29488078e-31  1.51300630e-67]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 9.96799686e-31 -3.45301540e-31  3.18461682e-09]
 [-7.97439749e-31  6.90603080e-31  3.18461682e-09]
 [-7.97439749e-31 -5.18440016e-45 -3.18461682e-09]
 [ 3.98719874e-31 -6.90603080e-31 -3.18461682e-09]]
stress =  [ 5.89923598e-10  5.89923598e-10  3.70809235e-10  7.12022820e-33
 -7.31682865e-45 -1.83532026e-25]
energy per atom =  -14.427038945793935
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0