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 16:09:02     -235.555340         5.060952
BFGS:    1 16:09:02     -236.191133         3.390763
BFGS:    2 16:09:02     -236.564618         1.561532
BFGS:    3 16:09:02     -236.657321         0.135079
BFGS:    4 16:09:02     -236.657984         0.004764
BFGS:    5 16:09:03     -236.657985         0.000014
BFGS:    6 16:09:03     -236.657985         0.000000
Minimization converged after 6 steps.
Maximum force component: 8.982206104630107e-31 eV/Angstrom
Maximum stress component: 1.5702879662000863e-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, -2.5930291059869114e-32, 9.475141608828188e-33], [-2.766402259667875e-32, 4.752542174570304, 3.1328379353510865e-18], [-2.3772013894623848e-32, 3.1328379353510842e-18, 4.752542174570304]])
forces =  [[-3.51477630e-31 -5.46742980e-31  3.31951095e-31]
 [ 1.36685745e-31 -1.95265350e-32 -1.17159210e-31]
 [-5.07689910e-31 -2.34318420e-31  7.61534865e-31]
 [ 1.56212280e-31 -1.75738815e-31  8.20114470e-31]
 [ 1.19600027e-31 -8.20114470e-31  5.66269515e-31]
 [-4.22261320e-31  6.44375655e-31  4.49110305e-31]
 [-1.61093914e-31  6.83428725e-31 -2.78253124e-31]
 [ 2.67805760e-31 -8.98220610e-31 -3.20509766e-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 -4.85108819e-27
 -5.09337060e-33 -4.63264916e-49]
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