element(s):
['Al', 'C', '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:
['3.1077', '4.4462142', '0.58509638']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'C', 'Ti']
representative atom coordinates =  [[0.33333333 0.66666667 0.25      ]
 [0.         0.         0.        ]
 [0.33333333 0.66666667 0.58509638]]
spacegroup =  194
cell =  [[3.1077, 0, 0], [-1.55385, 2.6913471473409, 0], [0, 0, 13.8175]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 18:51:24      -85.085265        47.616941
BFGS:    1 18:51:24      -93.791526        32.409472
BFGS:    2 18:51:24      -98.960956        22.529610
BFGS:    3 18:51:24     -102.303673        14.675555
BFGS:    4 18:51:24     -104.301202         7.441449
BFGS:    5 18:51:24     -105.120308         3.207100
BFGS:    6 18:51:24     -105.253284         2.010968
BFGS:    7 18:51:24     -105.327376         0.977444
BFGS:    8 18:51:24     -105.368221         0.836349
BFGS:    9 18:51:24     -105.394827         0.867755
BFGS:   10 18:51:24     -105.417099         0.594514
BFGS:   11 18:51:24     -105.428369         0.287164
BFGS:   12 18:51:24     -105.430544         0.062489
BFGS:   13 18:51:24     -105.430677         0.004800
BFGS:   14 18:51:24     -105.430678         0.000541
BFGS:   15 18:51:24     -105.430678         0.000031
BFGS:   16 18:51:24     -105.430678         0.000001
BFGS:   17 18:51:24     -105.430678         0.000000
BFGS:   18 18:51:24     -105.430678         0.000000
Minimization converged after 18 steps.
Maximum force component: 6.890756219645617e-10 eV/Angstrom
Maximum stress component: 4.739164799367459e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'C', 'C', '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 3.33333341e-09 5.57315634e-60]
 [9.99999997e-01 3.33333341e-09 5.00000000e-01]
 [3.33333330e-01 6.66666670e-01 6.03575764e-01]
 [6.66666663e-01 3.33333337e-01 1.03575764e-01]
 [6.66666663e-01 3.33333337e-01 3.96424236e-01]
 [3.33333330e-01 6.66666670e-01 8.96424236e-01]]
cellpar =  Cell([[3.0380848339440627, -8.548685428085306e-18, 1.7739508459962728e-34], [-1.5190424169720314, 2.631058645047788, 3.5445088309935e-34], [8.996218899660042e-34, 2.4815190078897124e-33, 14.292546396078437]])
forces =  [[ 2.99578294e-31 -1.72961609e-31 -4.69784629e-31]
 [ 2.99578294e-31 -1.72961609e-31  9.39569257e-31]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-6.49086304e-31  4.32404022e-31 -6.89075622e-10]
 [ 1.99718863e-31  1.03776965e-30 -6.89075622e-10]
 [ 6.49086304e-31 -4.32404022e-31  6.89075622e-10]
 [-9.98594313e-31  3.45923217e-31  6.89075622e-10]]
stress =  [ 4.73916480e-11  4.73916480e-11  2.29408431e-11  4.80741642e-33
 -7.56971773e-34 -3.66409612e-27]
energy per atom =  -13.178834696228689
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0