答网友：石墨层的原子坐标

设六边形的边长＝1，以某个原子为中心，给出平面6圈原子的坐标数据：

1

"2b-C"," is a reference atom"

"      Cartesian =  ",0,0,-5

"      SP coordinates=",0,0,.25

"",1,1,"The shell structure as a cluster:","shell","No",1

"      d of neighbors from the reference atom =",.999

"      The number of neighbor atoms"," N=",3,"and"

"      the number of shortest bonds formed by these atoms=",3

"      and the shortest bond length=",1.73

"      Neighbor atom:","2c-C"

"      Cartesian =  ",-.866,.501,-5

"      SP coordinates=  ",-.667,-.333,.25

"      Neighbor atom:","2c-C"

"      Cartesian =  ",0,-.999,-5

"      SP coordinates=  ",.333,-.333,.25

"      Neighbor atom:","2c-C"

"      Cartesian =  ",.866,.501,-5

"      SP coordinates=  ",.333,.667,.25

"",1,2,"The shell structure as a cluster:","shell","No",2

"      d of neighbors from the reference atom =",1.732

"      The number of neighbor atoms"," N=",6,"and"

"      the number of shortest bonds formed by these atoms=",6

"      and the shortest bond length=",1.73

"      Neighbor atom:","2b-C"

"      Cartesian =  ",-2.5981,-1.5,-5

"      SP coordinates=  ",-1,-2,.25

"      Neighbor atom:","2b-C"

"      Cartesian =  ",-1.7321,-3,-5

"      SP coordinates=  ",0,-2,.25

"      Neighbor atom:","2b-C"

"      Cartesian =  ",-1.7321,0,-5

"      SP coordinates=  ",-1,-1,.25

"      Neighbor atom:","2b-C"

"      Cartesian =  ",0,-3,-5

"      SP coordinates=  ",1,-1,.25

"      Neighbor atom:","2b-C"

"      Cartesian =  ",0,0,-5

"      SP coordinates=  ",0,0,.25

"      Neighbor atom:","2b-C"

"      Cartesian =  ",.866,-1.5,-5

"      SP coordinates=  ",1,0,.25

"",1,3,"The shell structure as a cluster:","shell","No",3

"      d of neighbors from the reference atom =",1.9995

"      The number of neighbor atoms"," N=",3,"and"

"      the number of shortest bonds formed by these atoms=",3

"      and the shortest bond length=",3.46

"      Neighbor atom:","2c-C"

"      Cartesian =  ",-1.7321,-.999,-5

"      SP coordinates=  ",-.667,-1.333,.25

"      Neighbor atom:","2c-C"

"      Cartesian =  ",0,2.001,-5

"      SP coordinates=  ",-.667,.667,.25

"      Neighbor atom:","2c-C"

"      Cartesian =  ",1.7321,-.999,-5

"      SP coordinates=  ",1.333,.667,.25

"",1,4,"The shell structure as a cluster:","shell","No",4

"      d of neighbors from the reference atom =",2.6448

"      The number of neighbor atoms"," N=",6,"and"

"      the number of shortest bonds formed by these atoms=",3

"      and the shortest bond length=",1.73

"      Neighbor atom:","2c-C"

"      Cartesian =  ",-2.5981,.501,-5

"      SP coordinates=  ",-1.667,-1.333,.25

"      Neighbor atom:","2c-C"

"      Cartesian =  ",-1.7321,2.001,-5

"      SP coordinates=  ",-1.667,-.333,.25

"      Neighbor atom:","2c-C"

"      Cartesian =  ",-.866,-2.499,-5

"      SP coordinates=  ",.333,-1.333,.25

"      Neighbor atom:","2c-C"

"      Cartesian =  ",.866,-2.499,-5

"      SP coordinates=  ",1.333,-.333,.25

"      Neighbor atom:","2c-C"

"      Cartesian =  ",1.7321,2.001,-5

"      SP coordinates=  ",.333,1.667,.25

"      Neighbor atom:","2c-C"

"      Cartesian =  ",2.5981,.501,-5

"      SP coordinates=  ",1.333,1.667,.25

"",1,5,"The shell structure as a cluster:","shell","No",5

"      d of neighbors from the reference atom =",3

"      The number of neighbor atoms"," N=",6,"and"

"      the number of shortest bonds formed by these atoms=",6

"      and the shortest bond length=",3

"      Neighbor atom:","2b-C"

"      Cartesian =  ",-2.5981,-1.5,-5

"      SP coordinates=  ",-1,-2,.25

"      Neighbor atom:","2b-C"

"      Cartesian =  ",-2.5981,1.5,-5

"      SP coordinates=  ",-2,-1,.25

"      Neighbor atom:","2b-C"

"      Cartesian =  ",0,-3,-5

"      SP coordinates=  ",1,-1,.25

"      Neighbor atom:","2b-C"

"      Cartesian =  ",0,3,-5

"      SP coordinates=  ",-1,1,.25

"      Neighbor atom:","2b-C"

"      Cartesian =  ",2.5981,-1.5,-5

"      SP coordinates=  ",2,1,.25

"      Neighbor atom:","2b-C"

"      Cartesian =  ",2.5981,1.5,-5

"      SP coordinates=  ",1,2,.25

"",1,6,"The shell structure as a cluster:","shell","No",6

"      d of neighbors from the reference atom =",3.4641

"      The number of neighbor atoms"," N=",6,"and"

"      the number of shortest bonds formed by these atoms=",6

"      and the shortest bond length=",3.46

"      Neighbor atom:","2b-C"

"      Cartesian =  ",-3.4641,0,-5

"      SP coordinates=  ",-2,-2,.25

"      Neighbor atom:","2b-C"

"      Cartesian =  ",-1.7321,-3,-5

"      SP coordinates=  ",0,-2,.25

"      Neighbor atom:","2b-C"

"      Cartesian =  ",-1.7321,3,-5

"      SP coordinates=  ",-2,0,.25

"      Neighbor atom:","2b-C"

"      Cartesian =  ",1.7321,-3,-5

"      SP coordinates=  ",2,0,.25

"      Neighbor atom:","2b-C"

"      Cartesian =  ",1.7321,3,-5

"      SP coordinates=  ",0,2,.25

"      Neighbor atom:","2b-C"

"      Cartesian =  ",3.4641,0,-5

"      SP coordinates=  ",2,2,.25