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 12:55:26      -69.618440        60.428962
BFGS:    1 12:55:26      -80.232979        40.699034
BFGS:    2 12:55:26      -84.424226        38.081951
BFGS:    3 12:55:26      -87.112036        30.702941
BFGS:    4 12:55:26      -90.135165        21.561455
BFGS:    5 12:55:26      -91.491682        18.369434
BFGS:    6 12:55:26      -92.634799        14.944614
BFGS:    7 12:55:26      -93.495133        12.506465
BFGS:    8 12:55:26      -94.205854        10.632576
BFGS:    9 12:55:26      -94.784520         9.141983
BFGS:   10 12:55:26      -95.259314         7.699842
BFGS:   11 12:55:26      -95.641464         6.271519
BFGS:   12 12:55:26      -95.939993         4.863795
BFGS:   13 12:55:26      -96.160527         3.470230
BFGS:   14 12:55:26      -96.306920         2.063327
BFGS:   15 12:55:26      -96.383574         0.707812
BFGS:   16 12:55:26      -96.398144         0.601955
BFGS:   17 12:55:26      -96.399316         0.520555
BFGS:   18 12:55:26      -96.403028         0.368032
BFGS:   19 12:55:26      -96.403662         0.197247
BFGS:   20 12:55:27      -96.403955         0.019992
BFGS:   21 12:55:27      -96.403960         0.002319
BFGS:   22 12:55:27      -96.403960         0.000492
BFGS:   23 12:55:27      -96.403960         0.000052
BFGS:   24 12:55:27      -96.403960         0.000001
BFGS:   25 12:55:27      -96.403960         0.000000
BFGS:   26 12:55:27      -96.403960         0.000000
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