element(s):
['Zr']
AFLOW prototype label:
A_cF4_225_a
Parameter names:
['a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['4.5286']
model name:
MEAM_LAMMPS_MooreBeelerDeo_2015_UZr__MO_453094726678_001
==== Building ASE atoms object with: ====
representative atom symbols =  ['Zr']
representative atom coordinates =  [[0 0 0]]
spacegroup =  225
cell =  [[4.5286, 0, 0], [0, 4.5286, 0], [0, 0, 4.5286]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:25:11      -24.473223        0.6369
BFGS:    1 17:25:11      -24.489620        0.5644
BFGS:    2 17:25:11      -24.543086        0.1413
BFGS:    3 17:25:11      -24.546403        0.0097
BFGS:    4 17:25:11      -24.546419        0.0002
BFGS:    5 17:25:11      -24.546419        0.0000
BFGS:    6 17:25:11      -24.546419        0.0000
Minimization converged after 6 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 1.1495301100118794e-13 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['Zr', 'Zr', 'Zr', 'Zr']
basis =  [[0.  0.  0. ]
 [0.  0.5 0.5]
 [0.5 0.  0.5]
 [0.5 0.5 0. ]]
cellpar =  Cell([[4.443985072927715, -1.756223145332985e-32, 2.7594945758470104e-32], [-1.8426788683938338e-33, 4.443985072927715, 8.954958929199468e-18], [-1.5978395163199683e-32, 8.954958929199525e-18, 4.443985072927715]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-1.14953011e-13 -1.14953011e-13 -1.14953011e-13  1.40557828e-29
  2.92561085e-35 -3.43834119e-51]
energy per atom =  -6.136604650126999
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0