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 17:01:43     -221.062736        8.4953
BFGS:    1 17:01:43     -218.333559        7.7459
BFGS:    2 17:01:43     -215.670905        7.0488
BFGS:    3 17:01:43     -213.072440        6.3998
BFGS:    4 17:01:43     -210.535845        5.7954
BFGS:    5 17:01:43     -208.059154        4.0176
BFGS:    6 17:01:43     -205.639786        3.5193
BFGS:    7 17:01:43     -203.276112        3.0561
BFGS:    8 17:01:43     -200.966122        2.6254
BFGS:    9 17:01:43     -198.708080        2.2248
BFGS:   10 17:01:43     -196.500210        1.8521
BFGS:   11 17:01:43     -194.340859        1.5055
BFGS:   12 17:01:43     -192.228447        1.1829
BFGS:   13 17:01:43     -190.161490        0.8827
BFGS:   14 17:01:43     -188.138484        0.6034
BFGS:   15 17:01:43     -186.158098        0.3434
BFGS:   16 17:01:43     -184.218939        0.1015
BFGS:   17 17:01:43     -183.417407        0.0051
BFGS:   18 17:01:43     -183.375485        0.0001
BFGS:   19 17:01:43     -183.374877        0.0000
BFGS:   20 17:01:43     -183.374876        0.0000
BFGS:   21 17:01:43     -183.374875        0.0000
BFGS:   22 17:01:43     -183.374875        0.0000
BFGS:   23 17:01:43     -183.374875        0.0000
BFGS:   24 17:01:43     -183.374874        0.0000
BFGS:   25 17:01:43     -183.374874        0.0000
BFGS:   26 17:01:44     -183.374874        0.0000
BFGS:   27 17:01:44     -183.374874        0.0000
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