element(s):
['La']
AFLOW prototype label:
A_hP4_194_ac
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.8243', '3.2179222']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['La', 'La']
representative atom coordinates =  [[0.         0.         0.        ]
 [0.33333333 0.66666667 0.25      ]]
spacegroup =  194
cell =  [[3.8243, 0, 0], [-1.91215, 3.3119409516928, 0], [0, 0, 12.3063]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 14:25:33      -69.352027        53.919527
BFGS:    1 14:25:33      -74.865947        38.725800
BFGS:    2 14:25:33      -78.718602        26.471762
BFGS:    3 14:25:33      -81.153549        16.712020
BFGS:    4 14:25:33      -82.597451         8.744564
BFGS:    5 14:25:33      -83.190528         2.536011
BFGS:    6 14:25:33      -83.249059         0.333171
BFGS:    7 14:25:33      -83.250080         0.017660
BFGS:    8 14:25:33      -83.250083         0.000413
BFGS:    9 14:25:33      -83.250083         0.000042
BFGS:   10 14:25:33      -83.250083         0.000001
BFGS:   11 14:25:33      -83.250083         0.000000
BFGS:   12 14:25:33      -83.250083         0.000000
Minimization converged after 12 steps.
Maximum force component: 1.350829925824391e-31 eV/Angstrom
Maximum stress component: 6.0274433667186085e-12 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['La', 'La', 'La', 'La']
basis =  [[0.         0.         0.        ]
 [0.         0.         0.5       ]
 [0.33333333 0.66666667 0.25      ]
 [0.66666667 0.33333333 0.75      ]]
cellpar =  Cell([[4.026208583761059, -3.5079116818779886e-17, -8.25273054331465e-36], [-2.0131042918805293, 3.4867989144720433, -9.119120555200579e-36], [4.9215816181016215e-36, 1.5248174299881363e-34, 13.151081213011537]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-6.61691364e-32  5.76511330e-49  1.35082993e-31]
 [ 3.30845682e-32  5.73041531e-32 -2.85499462e-67]]
stress =  [3.33597940e-12 3.33597940e-12 6.02744337e-12 2.86721871e-33
 1.89187279e-46 3.90370492e-28]
energy per atom =  -20.81252069938191
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0