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_KimLeeBaskes_2006_Zr__MO_392493010449_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      -25.236701        0.0388
BFGS:    1 17:25:11      -25.236761        0.0330
BFGS:    2 17:25:11      -25.236918        0.0001
BFGS:    3 17:25:11      -25.236918        0.0000
BFGS:    4 17:25:11      -25.236918        0.0000
Minimization converged after 4 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 2.973824924417698e-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([[4.532810460136948, -2.7329897890663333e-35, -1.536006262213217e-36], [-2.854729183445565e-35, 4.532810460136948, -2.903004672642743e-26], [2.7561719869911205e-35, -2.90300467550562e-26, 4.532810460136948]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]
 [0. 0. 0.]]
stress =  [-2.97382492e-13 -2.97382492e-13 -2.97382492e-13  5.40024872e-29
  1.24981031e-35 -2.79042368e-51]
energy per atom =  -6.309229453068449
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Successfully added property instance for parameter set 0