element(s):
['Al', 'O']
AFLOW prototype label:
AB_cF8_225_a_b
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.475']
model name:
Sim_LAMMPS_Buckingham_FreitasSantosColaco_2015_SiCaOAl__SM_154093256665_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['Al', 'O']
representative atom coordinates =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
spacegroup =  225
cell =  [[4.475, 0, 0], [0, 4.475, 0], [0, 0, 4.475]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 11:50:11     -111.668505        2.7767
BFGS:    1 11:50:11     -112.183651        2.7405
BFGS:    2 11:50:11     -112.820705        2.6869
BFGS:    3 11:50:11     -113.454757        2.6264
BFGS:    4 11:50:11     -114.084907        2.5587
BFGS:    5 11:50:11     -114.717003        2.4852
BFGS:    6 11:50:11     -115.336629        2.4012
BFGS:    7 11:50:11     -115.949210        2.3493
BFGS:    8 11:50:11     -116.561966        2.2504
BFGS:    9 11:50:11     -117.157086        2.1390
BFGS:   10 11:50:11     -117.741259        2.0163
BFGS:   11 11:50:11     -118.312914        1.8815
BFGS:   12 11:50:11     -118.870382        1.7337
BFGS:   13 11:50:11     -119.411782        1.5718
BFGS:   14 11:50:11     -119.935381        1.3950
BFGS:   15 11:50:11     -120.447372        1.2041
BFGS:   16 11:50:11     -120.928899        0.9938
BFGS:   17 11:50:11     -121.385752        0.7648
BFGS:   18 11:50:11     -121.819473        0.5171
BFGS:   19 11:50:11     -122.219065        0.2468
BFGS:   20 11:50:11     -122.554990        0.0200
BFGS:   21 11:50:11     -122.530794        0.0007
BFGS:   22 11:50:11     -122.531608        0.0000
BFGS:   23 11:50:11     -122.531609        0.0000
BFGS:   24 11:50:11     -122.531609        0.0000
BFGS:   25 11:50:11     -122.531609        0.0000
Minimization converged after 25 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 6.181988679348318e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Al', 'Al', 'Al', 'Al', 'O', 'O', 'O', 'O']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [6.97178949e-49 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.17743057e-33 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.17743057e-33]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 1.39435790e-48 6.97178949e-49]
 [0.00000000e+00 5.00000000e-01 1.56990743e-33]
 [0.00000000e+00 3.92476857e-34 5.00000000e-01]]
cellpar =  Cell([[3.9256937780385215, 3.188393741379456e-32, 9.655756392295208e-33], [4.422545375056838e-32, 3.9256937780385215, 2.017154706117601e-17], [-1.8169053200116458e-32, 2.0171547061176063e-17, 3.9256937780385215]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-6.18198868e-10 -6.18198868e-10 -6.18198868e-10  2.17961654e-26
 -1.06641527e-33  1.50940896e-50]
energy per atom =  -15.31645108868698
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0