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 20:15:18     -111.668505         2.776743
BFGS:    1 20:15:19     -112.183651         2.740512
BFGS:    2 20:15:19     -112.820705         2.686863
BFGS:    3 20:15:19     -113.454757         2.626421
BFGS:    4 20:15:20     -114.084907         2.558652
BFGS:    5 20:15:20     -114.717003         2.485166
BFGS:    6 20:15:20     -115.336629         2.401151
BFGS:    7 20:15:20     -115.949210         2.349292
BFGS:    8 20:15:21     -116.561966         2.250369
BFGS:    9 20:15:21     -117.157086         2.138981
BFGS:   10 20:15:21     -117.741259         2.016321
BFGS:   11 20:15:21     -118.312914         1.881532
BFGS:   12 20:15:21     -118.870382         1.733704
BFGS:   13 20:15:22     -119.411782         1.571849
BFGS:   14 20:15:22     -119.935381         1.394961
BFGS:   15 20:15:22     -120.447372         1.204096
BFGS:   16 20:15:22     -120.928899         0.993750
BFGS:   17 20:15:23     -121.385752         0.764776
BFGS:   18 20:15:23     -121.819473         0.517133
BFGS:   19 20:15:23     -122.219065         0.246797
BFGS:   20 20:15:23     -122.554990         0.020045
BFGS:   21 20:15:23     -122.530794         0.000692
BFGS:   22 20:15:24     -122.531608         0.000003
BFGS:   23 20:15:24     -122.531609         0.000000
BFGS:   24 20:15:24     -122.531609         0.000000
BFGS:   25 20:15:24     -122.531609         0.000000
Minimization converged after 25 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 6.174147498784673e-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]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 3.13981486e-33 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 3.13981486e-33]
 [5.00000000e-01 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 1.56990743e-33]
 [3.48589475e-49 3.13981486e-33 5.00000000e-01]]
cellpar =  Cell([[3.925693778038644, -5.374764376109265e-32, -9.677738849276141e-32], [-2.7616352037594416e-32, 3.925693778038644, 7.267516304804324e-17], [2.0588410225163564e-32, 7.267516304804314e-17, 3.925693778038644]])
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 =  [-6.17414750e-10 -6.17414750e-10 -6.17414750e-10  3.77760112e-26
 -1.59962291e-33  5.04270626e-50]
energy per atom =  -15.316451088687039
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0