element(s):
['H', 'Zr']
AFLOW prototype label:
A2B_cF12_225_c_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.8084']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['H', 'Zr']
representative atom coordinates =  [[0.25 0.25 0.25]
 [0.   0.   0.  ]]
spacegroup =  225
cell =  [[4.8084, 0, 0], [0, 4.8084, 0], [0, 0, 4.8084]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 14:46:50     -235.555340        5.0610
BFGS:    1 14:46:51     -236.191133        3.3908
BFGS:    2 14:46:51     -236.564618        1.5615
BFGS:    3 14:46:51     -236.657321        0.1351
BFGS:    4 14:46:51     -236.657984        0.0048
BFGS:    5 14:46:51     -236.657985        0.0000
BFGS:    6 14:46:51     -236.657985        0.0000
Minimization converged after 6 steps.
Maximum force component: 1.2692247756542541e-30 eV/Angstrom
Maximum stress component: 1.5702879662000866e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['H', 'H', 'H', 'H', 'H', 'H', 'H', 'H', 'Zr', 'Zr', 'Zr', 'Zr']
basis =  [[0.25 0.25 0.25]
 [0.75 0.75 0.25]
 [0.75 0.25 0.75]
 [0.25 0.75 0.75]
 [0.25 0.25 0.75]
 [0.75 0.75 0.75]
 [0.25 0.75 0.25]
 [0.75 0.25 0.25]
 [0.   1.   1.  ]
 [0.   0.5  0.5 ]
 [0.5  1.   0.5 ]
 [0.5  0.5  1.  ]]
cellpar =  Cell([[4.752542174570304, -2.9179623657881936e-32, -5.117785066940513e-33], [-2.810369269472161e-32, 4.752542174570304, 3.10082196369908e-18], [-2.1255459123274968e-32, 3.100821963699097e-18, 4.752542174570304]])
forces =  [[-3.12424560e-31 -8.59167540e-31  2.53844955e-31]
 [-1.95265350e-32 -6.44375655e-31 -5.07689910e-31]
 [-2.92898025e-31 -1.17159210e-30  5.27216445e-31]
 [ 1.95265350e-32 -1.75738815e-31  8.78694075e-31]
 [ 1.19600027e-31 -5.07689910e-31  6.83428725e-31]
 [-1.22040844e-32  1.26922478e-30  5.36979713e-31]
 [ 1.46449013e-32  9.95853286e-31  4.88163375e-33]
 [-6.41453349e-32 -5.85796050e-31 -2.55828119e-31]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [-1.57028797e-10 -1.57028797e-10 -1.57028797e-10 -1.52540518e-26
 -1.23696143e-32 -1.09653272e-48]
energy per atom =  -19.721498774660677
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0