"Atoms Coordinates x,y,z of","Mg"
"Mg","的原子坐标"
"The lattice constants of","Mg","a=",3.209,"c=",5.211
"All data of bond length and atoms coordinates use lattice constant unit, i.e. Angstron =

0.1nm "
"Origin at (0,0,0) and Reference atom at (0,0,0)"

"                                    d=",3.197,"         Z=",6
-1.6048,-.9265,-2.6054
0,1.853,-2.6054
1.6048,-.9265,-2.6054
-1.6048,-.9265,2.6054
0,1.853,2.6054
1.6048,-.9265,2.6054
"                                    d=",3.2095,"         Z=",6
-3.2095,0,0
-1.6048,-2.7795,0
-1.6048,2.7795,0
1.6048,-2.7795,0
1.6048,2.7795,0
3.2095,0,0
"                                    d=",4.5301,"         Z=",6
-3.2095,1.853,-2.6054
0,-3.706,-2.6054
3.2095,1.853,-2.6054
-3.2095,1.853,2.6054
0,-3.706,2.6054
3.2095,1.853,2.6054
"                                    d=",5.2104,"         Z=",2
0,0,-5.2107
0,0,5.2107
"                                    d=",5.5518,"         Z=",12
-4.8143,-.9265,-2.6054
-3.2095,-3.706,-2.6054
-1.6048,4.6325,-2.6054
1.6048,4.6325,-2.6054
3.2095,-3.706,-2.6054
4.8143,-.9265,-2.6054
-4.8143,-.9265,2.6054
-3.2095,-3.706,2.6054
-1.6048,4.6325,2.6054
1.6048,4.6325,2.6054
3.2095,-3.706,2.6054
4.8143,-.9265,2.6054
"                                    d=",5.559,"         Z=",6

"atom No",1,"----","atom No",2
"Mg(z=0)-----Mg(z=1/2)"
0,0,0,"  ",0,-1.8526,2.6055,
"The bond length =",3.197

"No",2,"of",136,"bonds"
"atom No",1,"----","atom No",3
"Mg(z=0)-----Mg(z=1/2)"
0,0,0,"  ",1.6045,.9264,2.6055,
"The bond length =",3.197

"No",3,"of",136,"bonds"
"atom No",1,"----","atom No",4
"Mg(z=0)-----Mg(z=1/2)"
0,0,0,"  ",-1.6045,.9264,2.6055,
"The bond length =",3.197

"No",4,"of",136,"bonds"
"atom No",2,"----","atom No",5
"Mg(z=1/2)-----Mg(z=0)"
0,-1.8526,2.6055,"  ",1.6045,-2.779,0,
"The bond length =",3.197

"No",5,"of",136,"bonds"
"atom No",2,"----","atom No",7
"Mg(z=1/2)-----Mg(z=0)"
0,-1.8526,2.6055,"  ",-1.6045,-2.779,0,
"The bond length =",3.197

"No",6,"of",136,"bonds"
"atom No",2,"----","atom No",11
"Mg(z=1/2)-----Mg(z=1)"
0,-1.8526,2.6055,"  ",0,0,5.211,
"The bond length =",3.197

"No",7,"of",136,"bonds"
"atom No",2,"----","atom No",13
"Mg(z=1/2)-----Mg(z=1)"
0,-1.8526,2.6055,"  ",1.6045,-2.779,5.211,
"The bond length =",3.197

"No",8,"of",136,"bonds"
"atom No",2,"----","atom No",15
"Mg(z=1/2)-----Mg(z=1)"
0,-1.8526,2.6055,"  ",-1.6045,-2.779,5.211,
"The bond length =",3.197

"No",9,"of",136,"bonds"
"atom No",3,"----","atom No",6
"Mg(z=1/2)-----Mg(z=0)"
1.6045,.9264,2.6055,"  ",1.6045,2.779,0,
"The bond length =",3.197

"No",10,"of",136,"bonds"
"atom No",3,"----","atom No",10
"Mg(z=1/2)-----Mg(z=0)"
1.6045,.9264,2.6055,"  ",3.209,0,0,
"The bond length =",3.197

"No",11,"of",136,"bonds"
"atom No",3,"----","atom No",11
"Mg(z=1/2)-----Mg(z=1)"
1.6045,.9264,2.6055,"  ",0,0,5.211,
"The bond length =",3.197

"No",12,"of",136,"bonds"
"atom No",3,"----","atom No",14
"Mg(z=1/2)-----Mg(z=1)"
1.6045,.9264,2.6055,"  ",1.6045,2.779,5.211,
"The bond length =",3.197

"No",13,"of",136,"bonds"
"atom No",3,"----","atom No",17
"Mg(z=1/2)-----Mg(z=1)"
1.6045,.9264,2.6055,"  ",3.209,0,5.211,
"The bond length =",3.197

"No",14,"of",136,"bonds"
"atom No",4,"----","atom No",8
"Mg(z=1/2)-----Mg(z=0)"
-1.6045,.9264,2.6055,"  ",-1.6045,2.779,0,
"The bond length =",3.197

"No",15,"of",136,"bonds"
"atom No",4,"----","atom No",9
"Mg(z=1/2)-----Mg(z=0)"
-1.6045,.9264,2.6055,"  ",-3.209,0,0,
"The bond length =",3.197

"No",16,"of",136,"bonds"
"atom No",4,"----","atom No",11
"Mg(z=1/2)-----Mg(z=1)"
-1.6045,.9264,2.6055,"  ",0,0,5.211,
"The bond length =",3.197

"No",17,"of",136,"bonds"
"atom No",4,"----","atom No",12
"Mg(z=1/2)-----Mg(z=1)"
-1.6045,.9264,2.6055,"  ",-1.6045,2.779,5.211,
"The bond length =",3.197

"No",18,"of",136,"bonds"
"atom No",4,"----","atom No",16
"Mg(z=1/2)-----Mg(z=1)"
-1.6045,.9264,2.6055,"  ",-3.209,0,5.211,
"The bond length =",3.197

"No",19,"of",136,"bonds"
"atom No",2,"----","atom No",3
"Mg(z=1/2)-----Mg(z=1/2)"
0,-1.8526,2.6055,"  ",1.6045,.9264,2.6055,
"The bond length =",3.209

"No",20,"of",136,"bonds"
"atom No",2,"----","atom No",4
"Mg(z=1/2)-----Mg(z=1/2)"
0,-1.8526,2.6055,"  ",-1.6045,.9264,2.6055,
"The bond length =",3.209

"No",21,"of",136,"bonds"
"atom No",1,"----","atom No",5
"Mg(z=0)-----Mg(z=0)"
0,0,0,"  ",1.6045,-2.779,0,
"The bond length =",3.209

"No",22,"of",136,"bonds"
"atom No",1,"----","atom No",6
"Mg(z=0)-----Mg(z=0)"
0,0,0,"  ",1.6045,2.779,0,
"The bond length =",3.209

"No",23,"of",136,"bonds"
"atom No",1,"----","atom No",7
"Mg(z=0)-----Mg(z=0)"
0,0,0,"  ",-1.6045,-2.779,0,
"The bond length =",3.209

"No",24,"of",136,"bonds"
"atom No",1,"----","atom No",8
"Mg(z=0)-----Mg(z=0)"
0,0,0,"  ",-1.6045,2.779,0,
"The bond length =",3.209

"No",25,"of",136,"bonds"
"atom No",1,"----","atom No",9
"Mg(z=0)-----Mg(z=0)"
0,0,0,"  ",-3.209,0,0,
"The bond length =",3.209

"No",26,"of",136,"bonds"
"atom No",3,"----","atom No",4
"Mg(z=1/2)-----Mg(z=1/2)"
1.6045,.9264,2.6055,"  ",-1.6045,.9264,2.6055,
"The bond length =",3.209

"No",27,"of",136,"bonds"
"atom No",1,"----","atom No",10
"Mg(z=0)-----Mg(z=0)"
0,0,0,"  ",3.209,0,0,
"The bond length =",3.209

"No",28,"of",136,"bonds"
"atom No",5,"----","atom No",7
"Mg(z=0)-----Mg(z=0)"
1.6045,-2.779,0,"  ",-1.6045,-2.779,0,
"The bond length =",3.209

"No",29,"of",136,"bonds"
"atom No",5,"----","atom No",10
"Mg(z=0)-----Mg(z=0)"
1.6045,-2.779,0,"  ",3.209,0,0,
"The bond length =",3.209

"No",30,"of",136,"bonds"
"atom No",6,"----","atom No",8
"Mg(z=0)-----Mg(z=0)"
1.6045,2.779,0,"  ",-1.6045,2.779,0,
"The bond length =",3.209

"No",31,"of",136,"bonds"
"atom No",6,"----","atom No",10
"Mg(z=0)-----Mg(z=0)"
1.6045,2.779,0,"  ",3.209,0,0,
"The bond length =",3.209

"No",32,"of",136,"bonds"
"atom No",7,"----","atom No",9
"Mg(z=0)-----Mg(z=0)"
-1.6045,-2.779,0,"  ",-3.209,0,0,
"The bond length =",3.209

"No",33,"of",136,"bonds"
"atom No",8,"----","atom No",9
"Mg(z=0)-----Mg(z=0)"
-1.6045,2.779,0,"  ",-3.209,0,0,
"The bond length =",3.209

"No",34,"of",136,"bonds"
"atom No",11,"----","atom No",12
"Mg(z=1)-----Mg(z=1)"
0,0,5.211,"  ",-1.6045,2.779,5.211,
"The bond length =",3.209

"No",35,"of",136,"bonds"
"atom No",11,"----","atom No",13
"Mg(z=1)-----Mg(z=1)"
0,0,5.211,"  ",1.6045,-2.779,5.211,
"The bond length =",3.209

"No",36,"of",136,"bonds"
"atom No",11,"----","atom No",14
"Mg(z=1)-----Mg(z=1)"
0,0,5.211,"  ",1.6045,2.779,5.211,
"The bond length =",3.209

"No",37,"of",136,"bonds"
"atom No",11,"----","atom No",15
"Mg(z=1)-----Mg(z=1)"
0,0,5.211,"  ",-1.6045,-2.779,5.211,
"The bond length =",3.209

"No",38,"of",136,"bonds"
"atom No",11,"----","atom No",16
"Mg(z=1)-----Mg(z=1)"
0,0,5.211,"  ",-3.209,0,5.211,
"The bond length =",3.209

"No",39,"of",136,"bonds"
"atom No",11,"----","atom No",17
"Mg(z=1)-----Mg(z=1)"
0,0,5.211,"  ",3.209,0,5.211,
"The bond length =",3.209

"No",40,"of",136,"bonds"
"atom No",12,"----","atom No",14
"Mg(z=1)-----Mg(z=1)"
-1.6045,2.779,5.211,"  ",1.6045,2.779,5.211,
"The bond length =",3.209

"No",41,"of",136,"bonds"
"atom No",12,"----","atom No",16
"Mg(z=1)-----Mg(z=1)"
-1.6045,2.779,5.211,"  ",-3.209,0,5.211,
"The bond length =",3.209

"No",42,"of",136,"bonds"
"atom No",13,"----","atom No",15
"Mg(z=1)-----Mg(z=1)"
1.6045,-2.779,5.211,"  ",-1.6045,-2.779,5.211,
"The bond length =",3.209

"No",43,"of",136,"bonds"
"atom No",13,"----","atom No",17
"Mg(z=1)-----Mg(z=1)"
1.6045,-2.779,5.211,"  ",3.209,0,5.211,
"The bond length =",3.209

"No",44,"of",136,"bonds"
"atom No",14,"----","atom No",17
"Mg(z=1)-----Mg(z=1)"
1.6045,2.779,5.211,"  ",3.209,0,5.211,
"The bond length =",3.209

"No",45,"of",136,"bonds"
"atom No",15,"----","atom No",16
"Mg(z=1)-----Mg(z=1)"
-1.6045,-2.779,5.211,"  ",-3.209,0,5.211,
"The bond length =",3.209

"No",46,"of",136,"bonds"
"atom No",3,"----","atom No",8
"Mg(z=1/2)-----Mg(z=0)"
1.6045,.9264,2.6055,"  ",-1.6045,2.779,0,
"The bond length =",4.53

"No",47,"of",136,"bonds"
"atom No",2,"----","atom No",16
"Mg(z=1/2)-----Mg(z=1)"
0,-1.8526,2.6055,"  ",-3.209,0,5.211,
"The bond length =",4.53

"No",48,"of",136,"bonds"
"atom No",2,"----","atom No",17
"Mg(z=1/2)-----Mg(z=1)"
0,-1.8526,2.6055,"  ",3.209,0,5.211,
"The bond length =",4.53

"No",49,"of",136,"bonds"
"atom No",4,"----","atom No",14
"Mg(z=1/2)-----Mg(z=1)"
-1.6045,.9264,2.6055,"  ",1.6045,2.779,5.211,
"The bond length =",4.53

"No",50,"of",136,"bonds"
"atom No",4,"----","atom No",15
"Mg(z=1/2)-----Mg(z=1)"
-1.6045,.9264,2.6055,"  ",-1.6045,-2.779,5.211,
"The bond length =",4.53

"No",51,"of",136,"bonds"
"atom No",3,"----","atom No",12
"Mg(z=1/2)-----Mg(z=1)"
1.6045,.9264,2.6055,"  ",-1.6045,2.779,5.211,
"The bond length =",4.53

"No",52,"of",136,"bonds"
"atom No",3,"----","atom No",13
"Mg(z=1/2)-----Mg(z=1)"
1.6045,.9264,2.6055,"  ",1.6045,-2.779,5.211,
"The bond length =",4.53

"No",53,"of",136,"bonds"
"atom No",2,"----","atom No",10
"Mg(z=1/2)-----Mg(z=0)"
0,-1.8526,2.6055,"  ",3.209,0,0,
"The bond length =",4.53

"No",54,"of",136,"bonds"
"atom No",3,"----","atom No",5
"Mg(z=1/2)-----Mg(z=0)"
1.6045,.9264,2.6055,"  ",1.6045,-2.779,0,
"The bond length =",4.53

"No",55,"of",136,"bonds"
"atom No",4,"----","atom No",6
"Mg(z=1/2)-----Mg(z=0)"
-1.6045,.9264,2.6055,"  ",1.6045,2.779,0,
"The bond length =",4.53

"No",56,"of",136,"bonds"
"atom No",4,"----","atom No",7
"Mg(z=1/2)-----Mg(z=0)"
-1.6045,.9264,2.6055,"  ",-1.6045,-2.779,0,
"The bond length =",4.53

"No",57,"of",136,"bonds"
"atom No",2,"----","atom No",9
"Mg(z=1/2)-----Mg(z=0)"
0,-1.8526,2.6055,"  ",-3.209,0,0,
"The bond length =",4.53

"No",58,"of",136,"bonds"
"atom No",9,"----","atom No",16
"Mg(z=0)-----Mg(z=1)"
-3.209,0,0,"  ",-3.209,0,5.211,
"The bond length =",5.211

"No",59,"of",136,"bonds"
"atom No",10,"----","atom No",17
"Mg(z=0)-----Mg(z=1)"
3.209,0,0,"  ",3.209,0,5.211,
"The bond length =",5.211

"No",60,"of",136,"bonds"
"atom No",6,"----","atom No",14
"Mg(z=0)-----Mg(z=1)"
1.6045,2.779,0,"  ",1.6045,2.779,5.211,
"The bond length =",5.211

"No",61,"of",136,"bonds"
"atom No",1,"----","atom No",11
"Mg(z=0)-----Mg(z=1)"
0,0,0,"  ",0,0,5.211,
"The bond length =",5.211

"No",62,"of",136,"bonds"
"atom No",7,"----","atom No",15
"Mg(z=0)-----Mg(z=1)"
-1.6045,-2.779,0,"  ",-1.6045,-2.779,5.211,
"The bond length =",5.211

"No",63,"of",136,"bonds"
"atom No",5,"----","atom No",13
"Mg(z=0)-----Mg(z=1)"
1.6045,-2.779,0,"  ",1.6045,-2.779,5.211,
"The bond length =",5.211

"No",64,"of",136,"bonds"
"atom No",8,"----","atom No",12
"Mg(z=0)-----Mg(z=1)"
-1.6045,2.779,0,"  ",-1.6045,2.779,5.211,
"The bond length =",5.211

"No",65,"of",136,"bonds"
"atom No",2,"----","atom No",14
"Mg(z=1/2)-----Mg(z=1)"
0,-1.8526,2.6055,"  ",1.6045,2.779,5.211,
"The bond length =",5.551

"No",66,"of",136,"bonds"
"atom No",2,"----","atom No",6
"Mg(z=1/2)-----Mg(z=0)"
0,-1.8526,2.6055,"  ",1.6045,2.779,0,
"The bond length =",5.551

"No",67,"of",136,"bonds"
"atom No",2,"----","atom No",12
"Mg(z=1/2)-----Mg(z=1)"
0,-1.8526,2.6055,"  ",-1.6045,2.779,5.211,
"The bond length =",5.551

"No",68,"of",136,"bonds"
"atom No",3,"----","atom No",7
"Mg(z=1/2)-----Mg(z=0)"
1.6045,.9264,2.6055,"  ",-1.6045,-2.779,0,
"The bond length =",5.551

"No",69,"of",136,"bonds"
"atom No",4,"----","atom No",10
"Mg(z=1/2)-----Mg(z=0)"
-1.6045,.9264,2.6055,"  ",3.209,0,0,
"The bond length =",5.551

"No",70,"of",136,"bonds"
"atom No",2,"----","atom No",8
"Mg(z=1/2)-----Mg(z=0)"
0,-1.8526,2.6055,"  ",-1.6045,2.779,0,
"The bond length =",5.551

"No",71,"of",136,"bonds"
"atom No",3,"----","atom No",15
"Mg(z=1/2)-----Mg(z=1)"
1.6045,.9264,2.6055,"  ",-1.6045,-2.779,5.211,
"The bond length =",5.551

"No",72,"of",136,"bonds"
"atom No",4,"----","atom No",13
"Mg(z=1/2)-----Mg(z=1)"
-1.6045,.9264,2.6055,"  ",1.6045,-2.779,5.211,
"The bond length =",5.551

"No",73,"of",136,"bonds"
"atom No",3,"----","atom No",16
"Mg(z=1/2)-----Mg(z=1)"
1.6045,.9264,2.6055,"  ",-3.209,0,5.211,
"The bond length =",5.551

"No",74,"of",136,"bonds"
"atom No",3,"----","atom No",9
"Mg(z=1/2)-----Mg(z=0)"
1.6045,.9264,2.6055,"  ",-3.209,0,0,
"The bond length =",5.551

"No",75,"of",136,"bonds"
"atom No",4,"----","atom No",5
"Mg(z=1/2)-----Mg(z=0)"
-1.6045,.9264,2.6055,"  ",1.6045,-2.779,0,
"The bond length =",5.551

"No",76,"of",136,"bonds"
"atom No",4,"----","atom No",17
"Mg(z=1/2)-----Mg(z=1)"
-1.6045,.9264,2.6055,"  ",3.209,0,5.211,
"The bond length =",5.551

"No",77,"of",136,"bonds"
"atom No",5,"----","atom No",9
"Mg(z=0)-----Mg(z=0)"
1.6045,-2.779,0,"  ",-3.209,0,0,
"The bond length =",5.558

"No",78,"of",136,"bonds"
"atom No",12,"----","atom No",15
"Mg(z=1)-----Mg(z=1)"
-1.6045,2.779,5.211,"  ",-1.6045,-2.779,5.211,
"The bond length =",5.558

"No",79,"of",136,"bonds"
"atom No",5,"----","atom No",6
"Mg(z=0)-----Mg(z=0)"
1.6045,-2.779,0,"  ",1.6045,2.779,0,
"The bond length =",5.558

"No",80,"of",136,"bonds"
"atom No",12,"----","atom No",17
"Mg(z=1)-----Mg(z=1)"
-1.6045,2.779,5.211,"  ",3.209,0,5.211,
"The bond length =",5.558

"No",81,"of",136,"bonds"
"atom No",13,"----","atom No",14
"Mg(z=1)-----Mg(z=1)"
1.6045,-2.779,5.211,"  ",1.6045,2.779,5.211,
"The bond length =",5.558

"No",82,"of",136,"bonds"
"atom No",8,"----","atom No",10
"Mg(z=0)-----Mg(z=0)"
-1.6045,2.779,0,"  ",3.209,0,0,
"The bond length =",5.558

"No",83,"of",136,"bonds"
"atom No",13,"----","atom No",16
"Mg(z=1)-----Mg(z=1)"
1.6045,-2.779,5.211,"  ",-3.209,0,5.211,
"The bond length =",5.558

"No",84,"of",136,"bonds"
"atom No",7,"----","atom No",8
"Mg(z=0)-----Mg(z=0)"
-1.6045,-2.779,0,"  ",-1.6045,2.779,0,
"The bond length =",5.558

"No",85,"of",136,"bonds"
"atom No",14,"----","atom No",16
"Mg(z=1)-----Mg(z=1)"
1.6045,2.779,5.211,"  ",-3.209,0,5.211,
"The bond length =",5.558

"No",86,"of",136,"bonds"
"atom No",6,"----","atom No",9
"Mg(z=0)-----Mg(z=0)"
1.6045,2.779,0,"  ",-3.209,0,0,
"The bond length =",5.558

"No",87,"of",136,"bonds"
"atom No",7,"----","atom No",10
"Mg(z=0)-----Mg(z=0)"
-1.6045,-2.779,0,"  ",3.209,0,0,
"The bond length =",5.558

"No",88,"of",136,"bonds"
"atom No",15,"----","atom No",17
"Mg(z=1)-----Mg(z=1)"
-1.6045,-2.779,5.211,"  ",3.209,0,5.211,
"The bond length =",5.558

"No",89,"of",136,"bonds"
"atom No",9,"----","atom No",15
"Mg(z=0)-----Mg(z=1)"
-3.209,0,0,"  ",-1.6045,-2.779,5.211,
"The bond length =",6.12

"No",90,"of",136,"bonds"
"atom No",1,"----","atom No",13
"Mg(z=0)-----Mg(z=1)"
0,0,0,"  ",1.6045,-2.779,5.211,
"The bond length =",6.12

"No",91,"of",136,"bonds"
"atom No",10,"----","atom No",11
"Mg(z=0)-----Mg(z=1)"
3.209,0,0,"  ",0,0,5.211,
"The bond length =",6.12

"No",92,"of",136,"bonds"
"atom No",10,"----","atom No",13
"Mg(z=0)-----Mg(z=1)"
3.209,0,0,"  ",1.6045,-2.779,5.211,
"The bond length =",6.12

"No",93,"of",136,"bonds"
"atom No",10,"----","atom No",14
"Mg(z=0)-----Mg(z=1)"
3.209,0,0,"  ",1.6045,2.779,5.211,
"The bond length =",6.12

"No",94,"of",136,"bonds"
"atom No",6,"----","atom No",11
"Mg(z=0)-----Mg(z=1)"
1.6045,2.779,0,"  ",0,0,5.211,
"The bond length =",6.12

"No",95,"of",136,"bonds"
"atom No",6,"----","atom No",12
"Mg(z=0)-----Mg(z=1)"
1.6045,2.779,0,"  ",-1.6045,2.779,5.211,
"The bond length =",6.12

"No",96,"of",136,"bonds"
"atom No",1,"----","atom No",14
"Mg(z=0)-----Mg(z=1)"
0,0,0,"  ",1.6045,2.779,5.211,
"The bond length =",6.12

"No",97,"of",136,"bonds"
"atom No",6,"----","atom No",17
"Mg(z=0)-----Mg(z=1)"
1.6045,2.779,0,"  ",3.209,0,5.211,
"The bond length =",6.12

"No",98,"of",136,"bonds"
"atom No",1,"----","atom No",15
"Mg(z=0)-----Mg(z=1)"
0,0,0,"  ",-1.6045,-2.779,5.211,
"The bond length =",6.12

"No",99,"of",136,"bonds"
"atom No",5,"----","atom No",11
"Mg(z=0)-----Mg(z=1)"
1.6045,-2.779,0,"  ",0,0,5.211,
"The bond length =",6.12

"No",100,"of",136,"bonds"
"atom No",1,"----","atom No",16
"Mg(z=0)-----Mg(z=1)"
0,0,0,"  ",-3.209,0,5.211,
"The bond length =",6.12

"No",101,"of",136,"bonds"
"atom No",7,"----","atom No",11
"Mg(z=0)-----Mg(z=1)"
-1.6045,-2.779,0,"  ",0,0,5.211,
"The bond length =",6.12

"No",102,"of",136,"bonds"
"atom No",7,"----","atom No",13
"Mg(z=0)-----Mg(z=1)"
-1.6045,-2.779,0,"  ",1.6045,-2.779,5.211,
"The bond length =",6.12

"No",103,"of",136,"bonds"
"atom No",5,"----","atom No",15
"Mg(z=0)-----Mg(z=1)"
1.6045,-2.779,0,"  ",-1.6045,-2.779,5.211,
"The bond length =",6.12

"No",104,"of",136,"bonds"
"atom No",7,"----","atom No",16
"Mg(z=0)-----Mg(z=1)"
-1.6045,-2.779,0,"  ",-3.209,0,5.211,
"The bond length =",6.12

"No",105,"of",136,"bonds"
"atom No",5,"----","atom No",17
"Mg(z=0)-----Mg(z=1)"
1.6045,-2.779,0,"  ",3.209,0,5.211,
"The bond length =",6.12

"No",106,"of",136,"bonds"
"atom No",1,"----","atom No",17
"Mg(z=0)-----Mg(z=1)"
0,0,0,"  ",3.209,0,5.211,
"The bond length =",6.12

"No",107,"of",136,"bonds"
"atom No",8,"----","atom No",11
"Mg(z=0)-----Mg(z=1)"
-1.6045,2.779,0,"  ",0,0,5.211,
"The bond length =",6.12

"No",108,"of",136,"bonds"
"atom No",1,"----","atom No",12
"Mg(z=0)-----Mg(z=1)"
0,0,0,"  ",-1.6045,2.779,5.211,
"The bond length =",6.12

"No",109,"of",136,"bonds"
"atom No",8,"----","atom No",14
"Mg(z=0)-----Mg(z=1)"
-1.6045,2.779,0,"  ",1.6045,2.779,5.211,
"The bond length =",6.12

"No",110,"of",136,"bonds"
"atom No",8,"----","atom No",16
"Mg(z=0)-----Mg(z=1)"
-1.6045,2.779,0,"  ",-3.209,0,5.211,
"The bond length =",6.12

"No",111,"of",136,"bonds"
"atom No",9,"----","atom No",11
"Mg(z=0)-----Mg(z=1)"
-3.209,0,0,"  ",0,0,5.211,
"The bond length =",6.12

"No",112,"of",136,"bonds"
"atom No",9,"----","atom No",12
"Mg(z=0)-----Mg(z=1)"
-3.209,0,0,"  ",-1.6045,2.779,5.211,
"The bond length =",6.12

"No",113,"of",136,"bonds"
"atom No",14,"----","atom No",15
"Mg(z=1)-----Mg(z=1)"
1.6045,2.779,5.211,"  ",-1.6045,-2.779,5.211,
"The bond length =",6.418

"No",114,"of",136,"bonds"
"atom No",9,"----","atom No",10
"Mg(z=0)-----Mg(z=0)"
-3.209,0,0,"  ",3.209,0,0,
"The bond length =",6.418

"No",115,"of",136,"bonds"
"atom No",5,"----","atom No",8
"Mg(z=0)-----Mg(z=0)"
1.6045,-2.779,0,"  ",-1.6045,2.779,0,
"The bond length =",6.418

"No",116,"of",136,"bonds"
"atom No",6,"----","atom No",7
"Mg(z=0)-----Mg(z=0)"
1.6045,2.779,0,"  ",-1.6045,-2.779,0,
"The bond length =",6.418

"No",117,"of",136,"bonds"
"atom No",12,"----","atom No",13
"Mg(z=1)-----Mg(z=1)"
-1.6045,2.779,5.211,"  ",1.6045,-2.779,5.211,
"The bond length =",6.418

"No",118,"of",136,"bonds"
"atom No",16,"----","atom No",17
"Mg(z=1)-----Mg(z=1)"
-3.209,0,5.211,"  ",3.209,0,5.211,
"The bond length =",6.418

"No",119,"of",136,"bonds"
"atom No",8,"----","atom No",17
"Mg(z=0)-----Mg(z=1)"
-1.6045,2.779,0,"  ",3.209,0,5.211,
"The bond length =",7.619

"No",120,"of",136,"bonds"
"atom No",10,"----","atom No",15
"Mg(z=0)-----Mg(z=1)"
3.209,0,0,"  ",-1.6045,-2.779,5.211,
"The bond length =",7.619

"No",121,"of",136,"bonds"
"atom No",5,"----","atom No",14
"Mg(z=0)-----Mg(z=1)"
1.6045,-2.779,0,"  ",1.6045,2.779,5.211,
"The bond length =",7.619

"No",122,"of",136,"bonds"
"atom No",7,"----","atom No",12
"Mg(z=0)-----Mg(z=1)"
-1.6045,-2.779,0,"  ",-1.6045,2.779,5.211,
"The bond length =",7.619

"No",123,"of",136,"bonds"
"atom No",6,"----","atom No",13
"Mg(z=0)-----Mg(z=1)"
1.6045,2.779,0,"  ",1.6045,-2.779,5.211,
"The bond length =",7.619

"No",124,"of",136,"bonds"
"atom No",9,"----","atom No",13
"Mg(z=0)-----Mg(z=1)"
-3.209,0,0,"  ",1.6045,-2.779,5.211,
"The bond length =",7.619

"No",125,"of",136,"bonds"
"atom No",9,"----","atom No",14
"Mg(z=0)-----Mg(z=1)"
-3.209,0,0,"  ",1.6045,2.779,5.211,
"The bond length =",7.619

"No",126,"of",136,"bonds"
"atom No",5,"----","atom No",16
"Mg(z=0)-----Mg(z=1)"
1.6045,-2.779,0,"  ",-3.209,0,5.211,
"The bond length =",7.619

"No",127,"of",136,"bonds"
"atom No",6,"----","atom No",16
"Mg(z=0)-----Mg(z=1)"
1.6045,2.779,0,"  ",-3.209,0,5.211,
"The bond length =",7.619

"No",128,"of",136,"bonds"
"atom No",8,"----","atom No",15
"Mg(z=0)-----Mg(z=1)"
-1.6045,2.779,0,"  ",-1.6045,-2.779,5.211,
"The bond length =",7.619

"No",129,"of",136,"bonds"
"atom No",10,"----","atom No",12
"Mg(z=0)-----Mg(z=1)"
3.209,0,0,"  ",-1.6045,2.779,5.211,
"The bond length =",7.619

"No",130,"of",136,"bonds"
"atom No",7,"----","atom No",17
"Mg(z=0)-----Mg(z=1)"
-1.6045,-2.779,0,"  ",3.209,0,5.211,
"The bond length =",7.619

"No",131,"of",136,"bonds"
"atom No",9,"----","atom No",17
"Mg(z=0)-----Mg(z=1)"
-3.209,0,0,"  ",3.209,0,5.211,
"The bond length =",8.267

"No",132,"of",136,"bonds"
"atom No",10,"----","atom No",16
"Mg(z=0)-----Mg(z=1)"
3.209,0,0,"  ",-3.209,0,5.211,
"The bond length =",8.267

"No",133,"of",136,"bonds"
"atom No",8,"----","atom No",13
"Mg(z=0)-----Mg(z=1)"
-1.6045,2.779,0,"  ",1.6045,-2.779,5.211,
"The bond length =",8.267

"No",134,"of",136,"bonds"
"atom No",6,"----","atom No",15
"Mg(z=0)-----Mg(z=1)"
1.6045,2.779,0,"  ",-1.6045,-2.779,5.211,
"The bond length =",8.267

"No",135,"of",136,"bonds"
"atom No",7,"----","atom No",14
"Mg(z=0)-----Mg(z=1)"
-1.6045,-2.779,0,"  ",1.6045,2.779,5.211,
"The bond length =",8.267

"No",136,"of",136,"bonds"
"atom No",5,"----","atom No",12
"Mg(z=0)-----Mg(z=1)"
1.6045,-2.779,0,"  ",-1.6045,2.779,5.211,
"The bond length =",8.267

"The coordination number (CN) of every atom in the unit cell"

"bond No",1,"   the bond length =",3.197
"atom No",1
-3.209,0,0,"           ","   CN =",1
"atom No",2
-3.209,0,5.211,"           ","   CN =",1
"atom No",3
-1.6045,-2.779,0,"           ","   CN =",1
"atom No",4
-1.6045,-2.779,5.211,"           ","   CN =",1
"atom No",5
-1.6045,.9264,2.6055,"           ","   CN =",6
"atom No",6
-1.6045,2.779,0,"           ","   CN =",1
"atom No",7
-1.6045,2.779,5.211,"           ","   CN =",1
"atom No",8
0,-1.8526,2.6055,"           ","   CN =",6
"atom No",9
0,0,0,"           ","   CN =",3
"atom No",10
0,0,5.211,"           ","   CN =",3
"atom No",11
1.6045,-2.779,0,"           ","   CN =",1
"atom No",12
1.6045,-2.779,5.211,"           ","   CN =",1
"atom No",13
1.6045,.9264,2.6055,"           ","   CN =",6
"atom No",14
1.6045,2.779,0,"           ","   CN =",1
"atom No",15
1.6045,2.779,5.211,"           ","   CN =",1
"atom No",16
3.209,0,0,"           ","   CN =",1
"atom No",17
3.209,0,5.211,"           ","   CN =",1
"bond No",2,"   the bond length =",3.209
"atom No",1
-3.209,0,0,"           ","   CN =",3
"atom No",2
-3.209,0,5.211,"           ","   CN =",3
"atom No",3
-1.6045,-2.779,0,"           ","   CN =",3
"atom No",4
-1.6045,-2.779,5.211,"           ","   CN =",3
"atom No",5
-1.6045,.9264,2.6055,"           ","   CN =",2
"atom No",6
-1.6045,2.779,0,"           ","   CN =",3
"atom No",7
-1.6045,2.779,5.211,"           ","   CN =",3
"atom No",8
0,-1.8526,2.6055,"           ","   CN =",2
"atom No",9
0,0,0,"           ","   CN =",6
"atom No",10
0,0,5.211,"           ","   CN =",6
"atom No",11
1.6045,-2.779,0,"           ","   CN =",3
"atom No",12
1.6045,-2.779,5.211,"           ","   CN =",3
"atom No",13
1.6045,.9264,2.6055,"           ","   CN =",2
"atom No",14
1.6045,2.779,0,"           ","   CN =",3
"atom No",15
1.6045,2.779,5.211,"           ","   CN =",3
"atom No",16
3.209,0,0,"           ","   CN =",3
"atom No",17
3.209,0,5.211,"           ","   CN =",3
"bond No",3,"   the bond length =",4.53
"atom No",1
-3.209,0,0,"           ","   CN =",1
"atom No",2
-3.209,0,5.211,"           ","   CN =",1
"atom No",3
-1.6045,-2.779,0,"           ","   CN =",1
"atom No",4
-1.6045,-2.779,5.211,"           ","   CN =",1
"atom No",5
-1.6045,.9264,2.6055,"           ","   CN =",4
"atom No",6
-1.6045,2.779,0,"           ","   CN =",1
"atom No",7
-1.6045,2.779,5.211,"           ","   CN =",1
"atom No",8
0,-1.8526,2.6055,"           ","   CN =",4
"atom No",9
1.6045,-2.779,0,"           ","   CN =",1
"atom No",10
1.6045,-2.779,5.211,"           ","   CN =",1
"atom No",11
1.6045,.9264,2.6055,"           ","   CN =",4
"atom No",12
1.6045,2.779,0,"           ","   CN =",1
"atom No",13
1.6045,2.779,5.211,"           ","   CN =",1
"atom No",14
3.209,0,0,"           ","   CN =",1
"atom No",15
3.209,0,5.211,"           ","   CN =",1
"bond No",4,"   the bond length =",5.211
"atom No",1
-3.209,0,0,"           ","   CN =",1
"atom No",2
-3.209,0,5.211,"           ","   CN =",1
"atom No",3
-1.6045,-2.779,0,"           ","   CN =",1
"atom No",4
-1.6045,-2.779,5.211,"           ","   CN =",1
"atom No",5
-1.6045,2.779,0,"           ","   CN =",1
"atom No",6
-1.6045,2.779,5.211,"           ","   CN =",1
"atom No",7
0,0,0,"           ","   CN =",1
"atom No",8
0,0,5.211,"           ","   CN =",1
"atom No",9
1.6045,-2.779,0,"           ","   CN =",1
"atom No",10
1.6045,-2.779,5.211,"           ","   CN =",1
"atom No",11
1.6045,2.779,0,"           ","   CN =",1
"atom No",12
1.6045,2.779,5.211,"           ","   CN =",1
"atom No",13
3.209,0,0,"           ","   CN =",1
"atom No",14
3.209,0,5.211,"           ","   CN =",1
"bond No",5,"   the bond length =",5.551
"atom No",1
-3.209,0,0,"           ","   CN =",1
"atom No",2
-3.209,0,5.211,"           ","   CN =",1
"atom No",3
-1.6045,-2.779,0,"           ","   CN =",1
"atom No",4
-1.6045,-2.779,5.211,"           ","   CN =",1
"atom No",5
-1.6045,.9264,2.6055,"           ","   CN =",4
"atom No",6
-1.6045,2.779,0,"           ","   CN =",1
"atom No",7
-1.6045,2.779,5.211,"           ","   CN =",1
"atom No",8
0,-1.8526,2.6055,"           ","   CN =",4
"atom No",9
1.6045,-2.779,0,"           ","   CN =",1
"atom No",10
1.6045,-2.779,5.211,"           ","   CN =",1
"atom No",11
1.6045,.9264,2.6055,"           ","   CN =",4
"atom No",12
1.6045,2.779,0,"           ","   CN =",1
"atom No",13
1.6045,2.779,5.211,"           ","   CN =",1
"atom No",14
3.209,0,0,"           ","   CN =",1
"atom No",15
3.209,0,5.211,"           ","   CN =",1
"bond No",6,"   the bond length =",5.558
"atom No",1
-3.209,0,0,"           ","   CN =",2
"atom No",2
-3.209,0,5.211,"           ","   CN =",2
"atom No",3
-1.6045,-2.779,0,"           ","   CN =",2
"atom No",4
-1.6045,-2.779,5.211,"           ","   CN =",2
"atom No",5
-1.6045,2.779,0,"           ","   CN =",2
"atom No",6
-1.6045,2.779,5.211,"           ","   CN =",2
"atom No",7
1.6045,-2.779,0,"           ","   CN =",2
"atom No",8
1.6045,-2.779,5.211,"           ","   CN =",2
"atom No",9
1.6045,2.779,0,"           ","   CN =",2
"atom No",10
1.6045,2.779,5.211,"           ","   CN =",2
"atom No",11
3.209,0,0,"           ","   CN =",2
"atom No",12
3.209,0,5.211,"           ","   CN =",2
"bond No",7,"   the bond length =",6.12
"atom No",1
-3.209,0,0,"           ","   CN =",3
"atom No",2
-3.209,0,5.211,"           ","   CN =",3
"atom No",3
-1.6045,-2.779,0,"           ","   CN =",3
"atom No",4
-1.6045,-2.779,5.211,"           ","   CN =",3
"atom No",5
-1.6045,2.779,0,"           ","   CN =",3
"atom No",6
-1.6045,2.779,5.211,"           ","   CN =",3
"atom No",7
0,0,0,"           ","   CN =",6
"atom No",8
0,0,5.211,"           ","   CN =",6
"atom No",9
1.6045,-2.779,0,"           ","   CN =",3
"atom No",10
1.6045,-2.779,5.211,"           ","   CN =",3
"atom No",11
1.6045,2.779,0,"           ","   CN =",3
"atom No",12
1.6045,2.779,5.211,"           ","   CN =",3
"atom No",13
3.209,0,0,"           ","   CN =",3
"atom No",14
3.209,0,5.211,"           ","   CN =",3
"bond No",8,"   the bond length =",6.418
"atom No",1
-3.209,0,0,"           ","   CN =",1
"atom No",2
-3.209,0,5.211,"           ","   CN =",1
"atom No",3
-1.6045,-2.779,0,"           ","   CN =",1
"atom No",4
-1.6045,-2.779,5.211,"           ","   CN =",1
"atom No",5
-1.6045,2.779,0,"           ","   CN =",1
"atom No",6
-1.6045,2.779,5.211,"           ","   CN =",1
"atom No",7
1.6045,-2.779,0,"           ","   CN =",1
"atom No",8
1.6045,-2.779,5.211,"           ","   CN =",1
"atom No",9
1.6045,2.779,0,"           ","   CN =",1
"atom No",10
1.6045,2.779,5.211,"           ","   CN =",1
"atom No",11
3.209,0,0,"           ","   CN =",1
"atom No",12
3.209,0,5.211,"           ","   CN =",1
"bond No",9,"   the bond length =",7.619
"atom No",1
-3.209,0,0,"           ","   CN =",2
"atom No",2
-3.209,0,5.211,"           ","   CN =",2
"atom No",3
-1.6045,-2.779,0,"           ","   CN =",2
"atom No",4
-1.6045,-2.779,5.211,"           ","   CN =",2
"atom No",5
-1.6045,2.779,0,"           ","   CN =",2
"atom No",6
-1.6045,2.779,5.211,"           ","   CN =",2
"atom No",7
1.6045,-2.779,0,"           ","   CN =",2
"atom No",8
1.6045,-2.779,5.211,"           ","   CN =",2
"atom No",9
1.6045,2.779,0,"           ","   CN =",2
"atom No",10
1.6045,2.779,5.211,"           ","   CN =",2
"atom No",11
3.209,0,0,"           ","   CN =",2
"atom No",12
3.209,0,5.211,"           ","   CN =",2
"bond No",10,"   the bond length =",8.267
"atom No",1
-3.209,0,0,"           ","   CN =",1
"atom No",2
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