element(s):
['La', 'O']
AFLOW prototype label:
A2B3_hP5_189_c_g
Parameter names:
['a', 'c/a', 'x2']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['6.3886', '0.5208966', '0.49707238']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['La', 'O']
representative atom coordinates =  [[0.33333333 0.66666667 0.        ]
 [0.49707238 0.         0.5       ]]
spacegroup =  189
cell =  [[6.3886, 0, 0], [-3.1943, 5.5326898946173, 0], [0, 0, 3.3278]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 14:16:02       -9.812300       173.102235
BFGS:    1 14:16:02      -19.068374       149.291670
BFGS:    2 14:16:02      -28.691628       125.845620
BFGS:    3 14:16:02      -35.752981       107.270187
BFGS:    4 14:16:02      -41.990851        90.621061
BFGS:    5 14:16:03      -47.105844        76.405280
BFGS:    6 14:16:03      -51.378477        64.010602
BFGS:    7 14:16:03      -54.878361        53.316028
BFGS:    8 14:16:03      -57.740198        44.081223
BFGS:    9 14:16:03      -60.059832        36.044291
BFGS:   10 14:16:04      -61.923235        29.050762
BFGS:   11 14:16:04      -63.387448        22.992036
BFGS:   12 14:16:04      -64.514634        17.726714
BFGS:   13 14:16:04      -65.356010        13.150711
BFGS:   14 14:16:04      -65.954490         9.172713
BFGS:   15 14:16:05      -66.347497         5.756320
BFGS:   16 14:16:05      -66.566652         2.755396
BFGS:   17 14:16:05      -66.638018         0.340250
BFGS:   18 14:16:05      -66.639378         0.053023
BFGS:   19 14:16:05      -66.639546         0.038791
BFGS:   20 14:16:06      -66.639732         0.037288
BFGS:   21 14:16:06      -66.639896         0.050955
BFGS:   22 14:16:06      -66.640297         0.105684
BFGS:   23 14:16:06      -66.641062         0.158204
BFGS:   24 14:16:06      -66.642323         0.170428
BFGS:   25 14:16:07      -66.643234         0.099477
BFGS:   26 14:16:07      -66.643452         0.036099
BFGS:   27 14:16:07      -66.643501         0.009454
BFGS:   28 14:16:07      -66.643503         0.002375
BFGS:   29 14:16:07      -66.643503         0.000269
BFGS:   30 14:16:07      -66.643503         0.000006
BFGS:   31 14:16:07      -66.643503         0.000000
BFGS:   32 14:16:08      -66.643503         0.000000
BFGS:   33 14:16:08      -66.643503         0.000000
Minimization converged after 33 steps.
Maximum force component: 2.2821778447630288e-11 eV/Angstrom
Maximum stress component: 2.536428803918607e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['La', 'La', 'O', 'O', 'O']
basis =  [[3.33333330e-01 6.66666670e-01 0.00000000e+00]
 [6.66666663e-01 3.33333337e-01 0.00000000e+00]
 [4.99999997e-01 3.33333342e-09 5.00000000e-01]
 [9.99999997e-01 5.00000003e-01 5.00000000e-01]
 [4.99999997e-01 5.00000003e-01 5.00000000e-01]]
cellpar =  Cell([[6.704863867234905, 1.7010937829685623e-17, -1.1999148413189436e-34], [-3.3524319336174524, 5.806582437941801, 5.0741800892431e-35], [-9.6975328536863e-35, -1.279501365495948e-34, 3.8975136122807665]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 5.50958852e-32 -9.54288725e-32 -8.33921312e-67]
 [ 2.28217784e-11  5.84738017e-29  5.12432686e-31]
 [-1.14108892e-11  1.97642399e-11  2.56216343e-31]
 [-1.14108892e-11 -1.97642399e-11  2.35709622e-46]]
stress =  [-2.53642880e-11 -2.53642880e-11 -1.43136657e-11 -6.41044370e-47
 -6.13114249e-46 -1.27990813e-26]
energy per atom =  -13.328700695397009
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is A2B3_hP5_189_c_g, while relaxed is A2B3_hP5_191_c_g. Skipping parameter set 0.
No parameter sets in this group successfully added a property instance. Skipping this group.