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 16:10:03      -69.352027        53.919527
BFGS:    1 16:10:03      -74.865947        38.725800
BFGS:    2 16:10:03      -78.718602        26.471762
BFGS:    3 16:10:03      -81.153549        16.712020
BFGS:    4 16:10:03      -82.597451         8.744564
BFGS:    5 16:10:03      -83.190528         2.536011
BFGS:    6 16:10:03      -83.249059         0.333171
BFGS:    7 16:10:03      -83.250080         0.017660
BFGS:    8 16:10:03      -83.250083         0.000413
BFGS:    9 16:10:03      -83.250083         0.000042
BFGS:   10 16:10:03      -83.250083         0.000001
BFGS:   11 16:10:03      -83.250083         0.000000
BFGS:   12 16:10:03      -83.250083         0.000000
Minimization converged after 12 steps.
Maximum force component: 4.549128128637748e-31 eV/Angstrom
Maximum stress component: 6.026253880898868e-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([[4.026208583761057, -1.913846633764408e-17, -2.2205154683075753e-35], [-2.0131042918805284, 3.486798914472042, -5.406067624583541e-35], [-1.4020789879264635e-35, -3.052763516704618e-35, 13.151081213011537]])
forces =  [[ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [-4.30099387e-31  2.29216612e-31 -2.70165985e-32]
 [ 4.54912813e-31 -2.07727555e-31  1.37321547e-66]]
stress =  [ 3.33274825e-12  3.33274825e-12  6.02625388e-12 -4.30082806e-33
 -2.48308424e-33 -6.53481902e-28]
energy per atom =  -20.812520699381906
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0