element(s):
['La']
AFLOW prototype label:
A_cF4_225_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['5.3757']
model name:
Sim_LAMMPS_Buckingham_FangKeltyHe_2014_LaO__SM_576027677976_000
==== Building ASE atoms object with: ====
representative atom symbols =  ['La']
representative atom coordinates =  [[0 0 0]]
spacegroup =  225
cell =  [[5.3757, 0, 0], [0, 5.3757, 0], [0, 0, 5.3757]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:16:09     -221.062736         8.495293
BFGS:    1 15:16:09     -218.333559         7.745936
BFGS:    2 15:16:09     -215.670905         7.048772
BFGS:    3 15:16:09     -213.072440         6.399802
BFGS:    4 15:16:09     -210.535845         5.795406
BFGS:    5 15:16:09     -208.059154         4.017642
BFGS:    6 15:16:09     -205.639786         3.519337
BFGS:    7 15:16:09     -203.276112         3.056086
BFGS:    8 15:16:09     -200.966122         2.625363
BFGS:    9 15:16:09     -198.708080         2.224765
BFGS:   10 15:16:09     -196.500210         1.852133
BFGS:   11 15:16:09     -194.340859         1.505460
BFGS:   12 15:16:09     -192.228447         1.182896
BFGS:   13 15:16:09     -190.161490         0.882721
BFGS:   14 15:16:09     -188.138484         0.603388
BFGS:   15 15:16:09     -186.158098         0.343416
BFGS:   16 15:16:09     -184.218939         0.101491
BFGS:   17 15:16:09     -183.417407         0.005068
BFGS:   18 15:16:09     -183.375485         0.000073
BFGS:   19 15:16:09     -183.374877         0.000000
BFGS:   20 15:16:09     -183.374876         0.000000
BFGS:   21 15:16:09     -183.374875         0.000000
BFGS:   22 15:16:09     -183.374875         0.000000
BFGS:   23 15:16:09     -183.374875         0.000000
BFGS:   24 15:16:09     -183.374874         0.000000
BFGS:   25 15:16:09     -183.374874         0.000000
BFGS:   26 15:16:09     -183.374874         0.000000
BFGS:   27 15:16:09     -183.374874         0.000000
Minimization converged after 27 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.670543772195488e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['La', 'La', 'La', 'La']
basis =  [[0.00000000e+00 0.00000000e+00 0.00000000e+00]
 [0.00000000e+00 5.00000000e-01 5.00000000e-01]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]
 [5.00000000e-01 5.00000000e-01 1.18874782e-34]]
cellpar =  Cell([[6.480533239614696, 6.963281226704266e-32, 6.34241249680701e-34], [3.4586896490876955e-33, 6.480533239614696, 4.6133442055951555e-18], [-4.568283200683735e-33, 4.6133442055951424e-18, 6.480533239614696]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.67054377e-10 -1.67054377e-10 -1.67054377e-10 -5.55761736e-28
  6.11445478e-36  2.89733557e-53]
energy per atom =  -45.84371846485922
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0