Output CIF file : GAN.cif

Input JSON path: GAN.json
encoding=utf-8
Ga 0.6666666666666666 0.3333333333333333 0.499084
N 0.6666666666666666 0.3333333333333333 0.875916

====== tkcrystal.Print start ======
CrystalName = GaN
SampleName = None

Symmetry:
Lattice system: hexagonal
Lattice axis: hexagonal

  0: x,y,z

Real space:
cell:   3.19000000   3.19000000   5.19000000 A    90.000000  90.000000 120.000000
Metrics gij:
Lattice vectors aij:
Volume: 45.73823017002465 A^3

Reciprocal space:
cell:     0.361975     0.361975     0.192678 A^-1   90.0 90.0 60.0
Metrics Rgij (A):
Lattice vectors Raij (A^-1):
Volume: 0.021863548200932875 A^-3

Properties:
  Chemical composition: GaN
  Sum chemical composition: GaN
  Formula unit: 1.0
  Unit cell weight: 83.72974
  Density: 3.0398g/cm3
  Atom density: 4.372710e+22 /cm3

Atom types:
    Ga (Ga) charge=  0.0000  [Z= 31  M=69.7230]
     N ( N) charge=  0.0000  [Z=  7  M=14.0067]

Asymmetric atom sites:
    0:   Ga1:   Ga charge= 0.000 ( 0.667,  0.333,  0.499) occ=  1.0000  m=1
    1:    N1:    N charge= 0.000 ( 0.667,  0.333,  0.876) occ=  1.0000  m=1

Expanded atom sites:
    0:   Ga1:   Ga charge= 0.000 ( 0.667,  0.333,  0.499) occ=  1.0000  m=1
    1:    N1:    N charge= 0.000 ( 0.667,  0.333,  0.876) occ=  1.0000  m=1
====== tkcrystal.Print end ======

====== tkcrystal.Print start ======
CrystalName = GaN
SampleName = None

Symmetry:
Lattice system: hexagonal
Lattice axis: hexagonal

  0: x,y,z

Real space:
cell:   3.19000000   3.19000000   5.19000000 A    90.000000  90.000000 120.000000
Metrics gij:
Lattice vectors aij:
Volume: 45.73823017002465 A^3

Reciprocal space:
cell:     0.361975     0.361975     0.192678 A^-1   90.0 90.0 60.0
Metrics Rgij (A):
Lattice vectors Raij (A^-1):
Volume: 0.021863548200932875 A^-3

Properties:
  Chemical composition: GaN
  Sum chemical composition: GaN
  Formula unit: 1.0
  Unit cell weight: 83.72974
  Density: 3.0398g/cm3
  Atom density: 4.372710e+22 /cm3

Atom types:
    Ga (Ga) charge=  0.0000  [Z= 31  M=69.7230]
     N ( N) charge=  0.0000  [Z=  7  M=14.0067]

Asymmetric atom sites:
    0:   Ga1:   Ga charge= 0.000 ( 0.667,  0.333,  0.499) occ=  1.0000  m=1
    1:    N1:    N charge= 0.000 ( 0.667,  0.333,  0.876) occ=  1.0000  m=1

Expanded atom sites:
    0:   Ga1:   Ga charge= 0.000 ( 0.667,  0.333,  0.499) occ=  1.0000  m=1
    1:    N1:    N charge= 0.000 ( 0.667,  0.333,  0.876) occ=  1.0000  m=1
====== tkcrystal.Print end ======

Write to [GAN.cif]

  (i) usage: python d:/git/tkProg/tkprog_COE/crystal/filter/json2cif.py infile(.json) outfile
         ex: python d:/git/tkProg/tkprog_COE/crystal/filter/json2cif.py GAN.json GAN.cif

