element(s):
['La', 'O']
AFLOW prototype label:
A2B3_hP5_164_d_ad
Parameter names:
['a', 'c/a', 'z2', 'z3']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.9878', '1.5662019', '0.75242959', '0.35476425']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['La', 'O', 'O']
representative atom coordinates =  [[0.33333333 0.66666667 0.75242959]
 [0.         0.         0.        ]
 [0.33333333 0.66666667 0.35476425]]
spacegroup =  164
cell =  [[3.9878, 0, 0], [-1.9939, 3.4535361052116, 0], [0, 0, 6.2457]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 13:36:13      -69.618440       60.4290
BFGS:    1 13:36:13      -80.232979       40.6990
BFGS:    2 13:36:13      -84.424226       38.0820
BFGS:    3 13:36:13      -87.112036       30.7029
BFGS:    4 13:36:13      -90.135165       21.5615
BFGS:    5 13:36:13      -91.491682       18.3694
BFGS:    6 13:36:13      -92.634799       14.9446
BFGS:    7 13:36:13      -93.495133       12.5065
BFGS:    8 13:36:13      -94.205854       10.6326
BFGS:    9 13:36:13      -94.784520        9.1420
BFGS:   10 13:36:13      -95.259314        7.6998
BFGS:   11 13:36:13      -95.641464        6.2715
BFGS:   12 13:36:13      -95.939993        4.8638
BFGS:   13 13:36:13      -96.160527        3.4702
BFGS:   14 13:36:13      -96.306920        2.0633
BFGS:   15 13:36:13      -96.383574        0.7078
BFGS:   16 13:36:13      -96.398144        0.6020
BFGS:   17 13:36:13      -96.399316        0.5206
BFGS:   18 13:36:13      -96.403028        0.3680
BFGS:   19 13:36:13      -96.403662        0.1972
BFGS:   20 13:36:13      -96.403955        0.0200
BFGS:   21 13:36:14      -96.403960        0.0023
BFGS:   22 13:36:14      -96.403960        0.0005
BFGS:   23 13:36:14      -96.403960        0.0001
BFGS:   24 13:36:14      -96.403960        0.0000
BFGS:   25 13:36:14      -96.403960        0.0000
BFGS:   26 13:36:14      -96.403960        0.0000
Minimization converged after 26 steps.
Maximum force component: 1.1413586063139906e-09 eV/Angstrom
Maximum stress component: 4.2503986614019176e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['La', 'La', 'O', 'O', 'O']
basis =  [[3.33333330e-01 6.66666670e-01 7.77245167e-01]
 [6.66666663e-01 3.33333337e-01 2.22754833e-01]
 [9.99999997e-01 3.33333322e-09 0.00000000e+00]
 [3.33333330e-01 6.66666670e-01 4.11524792e-01]
 [6.66666663e-01 3.33333337e-01 5.88475208e-01]]
cellpar =  Cell([[3.9682725816074993, -1.6184088719760175e-17, 2.264675980557919e-35], [-1.9841362908037496, 3.436624864813349, 5.101936450980816e-35], [4.586060178891641e-36, 1.2110425902058648e-34, 7.183790582699239]])
forces =  [[ 4.17388680e-30 -3.61469200e-30  8.37528558e-10]
 [-3.65215095e-30  1.80734600e-30 -8.37528558e-10]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 7.28631938e-46  1.92410103e-44  1.14135861e-09]
 [-7.28631938e-46 -1.92410103e-44 -1.14135861e-09]]
stress =  [-4.25039866e-11 -4.25039866e-11  1.50236074e-11  4.26042946e-32
  7.37928028e-32  1.59564236e-26]
energy per atom =  -19.280791955570102
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0