element(s):
['H', 'Zr']
AFLOW prototype label:
AB_tP4_131_e_c
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:
['3.246', '1.5365989']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['H', 'Zr']
representative atom coordinates =  [[0.   0.   0.25]
 [0.   0.5  0.  ]]
spacegroup =  131
cell =  [[3.246, 0, 0], [0, 3.246, 0], [0, 0, 4.9878]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 15:56:10      -83.183056        10.022342
BFGS:    1 15:56:10      -83.863825         3.896485
BFGS:    2 15:56:10      -84.206811         2.505238
BFGS:    3 15:56:10      -84.372663         1.603098
BFGS:    4 15:56:10      -84.451214         0.508079
BFGS:    5 15:56:10      -84.463419         0.095332
BFGS:    6 15:56:10      -84.463607         0.023331
BFGS:    7 15:56:10      -84.463613         0.004563
BFGS:    8 15:56:10      -84.463613         0.000325
BFGS:    9 15:56:10      -84.463613         0.000010
BFGS:   10 15:56:10      -84.463613         0.000000
BFGS:   11 15:56:10      -84.463613         0.000000
Minimization converged after 11 steps.
Maximum force component: 1.039851352851476e-32 eV/Angstrom
Maximum stress component: 4.633753833553968e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['H', 'H', 'Zr', 'Zr']
basis =  [[0.00000000e+00 0.00000000e+00 2.50000000e-01]
 [0.00000000e+00 9.13165879e-34 7.50000000e-01]
 [3.16818058e-51 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 0.00000000e+00 5.00000000e-01]]
cellpar =  Cell([[3.3745105704711933, 4.58949486089894e-35, 1.5348896311465636e-32], [5.70620976028641e-35, 3.374510570471193, 3.1215618330976592e-18], [-1.6870071602744333e-34, 5.2684812334423e-18, 4.772278615233272]])
forces =  [[ 1.03985135e-32  1.41424729e-67  4.72974384e-65]
 [-1.03985135e-32 -1.41424729e-67 -4.72974384e-65]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [ 3.58216122e-10  3.58216122e-10  4.63375383e-10 -1.92090820e-25
 -2.00977791e-44  4.33599347e-60]
energy per atom =  -21.11590334430445
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0