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 18:15:43      -32.837400       87.2993
BFGS:    1 18:15:43      -42.564031       45.3950
BFGS:    2 18:15:43      -47.195432       18.3607
BFGS:    3 18:15:43      -48.403483        5.9999
BFGS:    4 18:15:43      -48.579046        1.2260
BFGS:    5 18:15:43      -48.587529        0.1173
BFGS:    6 18:15:43      -48.587609        0.0026
BFGS:    7 18:15:43      -48.587609        0.0000
BFGS:    8 18:15:43      -48.587609        0.0000
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, -8.916298767984068e-33, 3.4043964863676956e-33], [-6.1365380544498656e-33, 3.8524080648409544, 6.212705142265319e-18], [-1.635851572517805e-32, 6.212705142265337e-18, 3.8524080648409544]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.12380219e-11 -1.12380219e-11 -1.12380219e-11  1.06215176e-27
  6.92109239e-35 -3.43324543e-51]
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