element(s):
['Zr']
AFLOW prototype label:
A_cI2_229_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.5751']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['Zr']
representative atom coordinates =  [[0 0 0]]
spacegroup =  229
cell =  [[3.5751, 0, 0], [0, 3.5751, 0], [0, 0, 3.5751]]
=========================================
      Step     Time          Energy          fmax
BFGS:    0 16:19:15      -32.837400        87.299328
BFGS:    1 16:19:15      -42.564031        45.395018
BFGS:    2 16:19:15      -47.195432        18.360660
BFGS:    3 16:19:15      -48.403483         5.999944
BFGS:    4 16:19:15      -48.579046         1.226036
BFGS:    5 16:19:15      -48.587529         0.117342
BFGS:    6 16:19:15      -48.587609         0.002647
BFGS:    7 16:19:15      -48.587609         0.000006
BFGS:    8 16:19:15      -48.587609         0.000000
Minimization converged after 8 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.1238021942989216e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Zr', 'Zr']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[3.8524080648409544, 3.873404158628891e-33, 3.3340973838520466e-33], [3.360730062889364e-33, 3.8524080648409544, 8.12812824761712e-18], [2.913835330867898e-33, 8.128128247617124e-18, 3.8524080648409544]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.12380219e-11 -1.12380219e-11 -1.12380219e-11  1.29098919e-27
  2.07632772e-34 -1.90147590e-50]
energy per atom =  -24.29380457687427
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0