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 13:42:43      -83.183056        10.022342
BFGS:    1 13:42:43      -83.863825         3.896485
BFGS:    2 13:42:43      -84.206811         2.505238
BFGS:    3 13:42:43      -84.372663         1.603098
BFGS:    4 13:42:43      -84.451214         0.508079
BFGS:    5 13:42:43      -84.463419         0.095332
BFGS:    6 13:42:43      -84.463607         0.023331
BFGS:    7 13:42:43      -84.463613         0.004563
BFGS:    8 13:42:43      -84.463613         0.000325
BFGS:    9 13:42:43      -84.463613         0.000010
BFGS:   10 13:42:43      -84.463613         0.000000
BFGS:   11 13:42:43      -84.463613         0.000000
Minimization converged after 11 steps.
Maximum force component: 3.3275243291247244e-31 eV/Angstrom
Maximum stress component: 4.6338793419099455e-10 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['H', 'H', 'Zr', 'Zr']
basis =  [[2.47663803e-35 4.56582939e-34 2.50000000e-01]
 [4.96064126e-35 1.82633176e-33 7.50000000e-01]
 [7.92045144e-52 5.00000000e-01 0.00000000e+00]
 [5.00000000e-01 9.13165879e-34 5.00000000e-01]]
cellpar =  Cell([[3.3745105704711946, 3.3422911370158904e-35, 2.0664312813890678e-32], [3.019413314995942e-35, 3.3745105704711933, -1.8329973963040126e-17], [6.821513983900587e-33, -2.7230675582906877e-17, 4.772278615233274]])
forces =  [[ 3.32752433e-31 -3.32752433e-31  1.80747498e-48]
 [ 1.66376216e-31  1.66376216e-31 -9.03737491e-49]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]
 [ 0.00000000e+00  0.00000000e+00  0.00000000e+00]]
stress =  [ 3.58227878e-10  3.58227878e-10  4.63387934e-10 -2.13361684e-26
  8.12684752e-43 -1.27995550e-58]
energy per atom =  -21.115903344304453
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0