答网友：Co5Sm的原子环境描述(1)

这里描述的Co5Sm晶体，空间群为191号。

"a=",5.002,"b=",5.002,"c=",3.964,"Delta=",.005

1," The distance of","3g-Co","and","2c-Co"," d===",2.4513

"    Coordinates of these two atoms:"

"   ","3g-Co",":","Cartesian =",1.2505,10.8296,0

"                  SP coordinates=",-1,1.5,.5

"   ","2c-Co",":","Cartesian =",2.501,10.1106,-1.982

"                  SP coordinates=",-.667,1.667,0

"   Neighbors of","3g-Co","at",1.2505,10.8296,0,"    N=",4

"                           SP coordinates=",-1,1.5,.5

"     Neighbor atom：","2c-Co"

"                  Cartesian=",0,11.5487,-1.982

"                  SP coordinates=",-1.333,1.333,0

"     Neighbor atom：","2c-Co"

"                  Cartesian=",0,11.5487,1.982

"                  SP coordinates=",-1.333,1.333,1

"     Neighbor atom：","2c-Co"

"                  Cartesian=",2.501,10.1106,-1.982

"                  SP coordinates=",-.667,1.667,0

"     Neighbor atom：","2c-Co"

"                  Cartesian=",2.501,10.1106,1.982

"                  SP coordinates=",-.667,1.667,1

"   Neighbors of","2c-Co","at",2.501,10.1106,-1.982,"    N=",6

"                           SP coordinates=",-.667,1.667,0

"     Neighbor atom：","3g-Co"

"                  Cartesian=",1.2505,10.8296,-3.964

"                  SP coordinates=",-1,1.5,-.5

"     Neighbor atom：","3g-Co"

"                  Cartesian=",1.2505,10.8296,0

"                  SP coordinates=",-1,1.5,.5

"     Neighbor atom：","3g-Co"

"                  Cartesian=",2.501,8.6637,-3.964

"                  SP coordinates=",-.5,1.5,-.5

"     Neighbor atom：","3g-Co"

"                  Cartesian=",2.501,8.6637,0

"                  SP coordinates=",-.5,1.5,.5

"     Neighbor atom：","3g-Co"

"                  Cartesian=",3.7515,10.8296,-3.964

"                  SP coordinates=",-.5,2,-.5

"     Neighbor atom：","3g-Co"

"                  Cartesian=",3.7515,10.8296,0

"                  SP coordinates=",-.5,2,.5

2," The distance of","3g-Co","and","3g-Co"," d===",2.501

"    Coordinates of these two atoms:"

"   ","3g-Co",":","Cartesian =",3.7515,6.4978,-3.964

"                 SP coordinates=",0,1.5,-.5

"   ","3g-Co",":","Cartesian =",6.2525,6.4978,-3.964

"                  SP coordinates=",.5,2,-.5

"   Neighbors of","3g-Co","at",3.7515,6.4978,-3.964,"    N=",4

"                           SP coordinates=",0,1.5,-.5

"     Neighbor atom：","3g-Co"

"                  Cartesian=",1.2505,6.4978,-3.964

"                  SP coordinates=",-.5,1,-.5

"     Neighbor atom：","3g-Co"

"                  Cartesian=",2.501,8.6637,-3.964

"                  SP coordinates=",-.5,1.5,-.5

"     Neighbor atom：","3g-Co"

"                  Cartesian=",5.002,4.3319,-3.964

"                  SP coordinates=",.5,1.5,-.5

"     Neighbor atom：","3g-Co"

"                  Cartesian=",6.2525,6.4978,-3.964

"                  SP coordinates=",.5,2,-.5

"   Neighbors of","3g-Co","at",6.2525,6.4978,-3.964,"    N=",4

"                           SP coordinates=",.5,2,-.5

"     Neighbor atom：","3g-Co"

"                  Cartesian=",3.7515,6.4978,-3.964

"                  SP coordinates=",0,1.5,-.5

"     Neighbor atom：","3g-Co"

"                  Cartesian=",5.002,4.3319,-3.964

"                  SP coordinates=",.5,1.5,-.5

"     Neighbor atom：","3g-Co"

"                  Cartesian=",7.503,8.6637,-3.964

"                  SP coordinates=",.5,2.5,-.5

"     Neighbor atom：","3g-Co"

"                  Cartesian=",8.7535,6.4978,-3.964

"                  SP coordinates=",1,2.5,-.5

3," The distance of","1a-Sm","and","2c-Co"," d===",2.885

"    Coordinates of these two atoms:"

"   ","1a-Sm",":","Cartesian =",5.002,0,5.946

"                  SP coordinates=",1,1,2

"   ","2c-Co",":","Cartesian =",5.002,2.885,5.946

"                  SP coordinates=",.667,1.333,2

"   Neighbors of","1a-Sm","at",5.002,0,5.946,"    N=",6

"                           SP coordinates=",1,1,2

"     Neighbor atom：","2c-Co"

"                  Cartesian=",2.501,-1.4468,5.946

"                  SP coordinates=",.667,.333,2

"     Neighbor atom：","2c-Co"

"                  Cartesian=",2.501,1.4468,5.946

"                  SP coordinates=",.333,.667,2

"     Neighbor atom：","2c-Co"

"                  Cartesian=",5.002,-2.885,5.946

"                  SP coordinates=",1.333,.667,2

"     Neighbor atom：","2c-Co"

"                  Cartesian=",5.002,2.885,5.946

"                  SP coordinates=",.667,1.333,2

"     Neighbor atom：","2c-Co"

"                  Cartesian=",7.503,-1.4468,5.946

"                  SP coordinates=",1.667,1.333,2

"     Neighbor atom：","2c-Co"

"                  Cartesian=",7.503,1.4468,5.946

"                  SP coordinates=",1.333,1.667,2

"   Neighbors of","2c-Co","at",5.002,2.885,5.946,"    N=",5

"                           SP coordinates=",.667,1.333,2

"     Neighbor atom：","2c-Co"

"                  Cartesian=",2.501,1.4468,5.946

"                  SP coordinates=",.333,.667,2

"     Neighbor atom：","1a-Sm"

"                  Cartesian=",2.501,4.3319,5.946

"                  SP coordinates=",0,1,2

"     Neighbor atom：","1a-Sm"

"                  Cartesian=",5.002,0,5.946

"                  SP coordinates=",1,1,2

"     Neighbor atom：","2c-Co"

"                  Cartesian=",7.503,1.4468,5.946

"                  SP coordinates=",1.333,1.667,2

"     Neighbor atom：","1a-Sm"

"                  Cartesian=",7.503,4.3319,5.946

"                  SP coordinates=",1,2,2

4," The distance of","2c-Co","and","2c-Co"," d===",2.885

"    Coordinates of these two atoms:"

"   ","2c-Co",":","Cartesian =",0,2.885,1.982

"                  SP coordinates=",-.333,.333,1

"   ","2c-Co",":","Cartesian =",2.501,1.4468,1.982

"                  SP coordinates=",.333,.667,1

"   Neighbors of","2c-Co","at",0,2.885,1.982,"    N=",5

"                           SP coordinates=",-.333,.333,1

"     Neighbor atom：","2c-Co"

"                  Cartesian=",-2.501,1.4468,1.982

"                  SP coordinates=",-.667,-.333,1

"     Neighbor atom：","1a-Sm"

"                  Cartesian=",-2.501,4.3319,1.982

"                  SP coordinates=",-1,0,1

"     Neighbor atom：","1a-Sm"

"                  Cartesian=",0,0,1.982

"                  SP coordinates=",0,0,1

"     Neighbor atom：","2c-Co"

"                  Cartesian=",2.501,1.4468,1.982

"                  SP coordinates=",.333,.667,1

"     Neighbor atom：","1a-Sm"

"                  Cartesian=",2.501,4.3319,1.982

"                  SP coordinates=",0,1,1

"   Neighbors of","2c-Co","at",2.501,1.4468,1.982,"    N=",5

"                           SP coordinates=",.333,.667,1

"     Neighbor atom：","1a-Sm"

"                  Cartesian=",0,0,1.982

"                  SP coordinates=",0,0,1

"     Neighbor atom：","2c-Co"

"                  Cartesian=",0,2.885,1.982

"                  SP coordinates=",-.333,.333,1

"     Neighbor atom：","1a-Sm"

"                  Cartesian=",2.501,4.3319,1.982

"                  SP coordinates=",0,1,1

"     Neighbor atom：","1a-Sm"

"                  Cartesian=",5.002,0,1.982

"                  SP coordinates=",1,1,1

"     Neighbor atom：","2c-Co"

"                  Cartesian=",5.002,2.885,1.982

"                 SP coordinates=",.667,1.333,1

5," The distance of","1a-Sm","and","2c-Co"," d===",2.8893

"    Coordinates of these two atoms:"

"   ","1a-Sm",":","Cartesian =",-5.002,0,5.946

"                  SP coordinates=",-1,-1,2

"   ","2c-Co",":","Cartesian =",-2.501,1.4468,5.946

"                  SP coordinates=",-.667,-.333,2

"   Neighbors of","1a-Sm","at",-5.002,0,5.946,"    N=",6

"                           SP coordinates=",-1,-1,2

"     Neighbor atom：","2c-Co"

"                  Cartesian=",-7.503,-1.4468,5.946

"                  SP coordinates=",-1.333,-1.667,2

"     Neighbor atom：","2c-Co"

"                  Cartesian=",-7.503,1.4468,5.946

"                  SP coordinates=",-1.667,-1.333,2

"     Neighbor atom：","2c-Co"

"                  Cartesian=",-5.002,-2.885,5.946

"                  SP coordinates=",-.667,-1.333,2

"     Neighbor atom：","2c-Co"

"                  Cartesian=",-5.002,2.885,5.946

"                  SP coordinates=",-1.333,-.667,2

"     Neighbor atom：","2c-Co"

"                  Cartesian=",-2.501,-1.4468,5.946

"                  SP coordinates=",-.333,-.667,2

"     Neighbor atom：","2c-Co"

"                  Cartesian=",-2.501,1.4468,5.946

"                  SP coordinates=",-.667,-.333,2

"   Neighbors of","2c-Co","at",-2.501,1.4468,5.946,"    N=",6

"                           SP coordinates=",-.667,-.333,2

"     Neighbor atom：","1a-Sm"

"                  Cartesian=",-5.002,0,5.946

"                  SP coordinates=",-1,-1,2

"     Neighbor atom：","2c-Co"

"                  Cartesian=",-5.002,2.885,5.946

"                  SP coordinates=",-1.333,-.667,2

"     Neighbor atom：","2c-Co"

"                  Cartesian=",-2.501,-1.4468,5.946

"                  SP coordinates=",-.333,-.667,2

"    Neighbor atom：","1a-Sm"

"                  Cartesian=",-2.501,4.3319,5.946

"                  SP coordinates=",-1,0,2

"     Neighbor atom：","1a-Sm"

"                  Cartesian=",0,0,5.946

"                  SP coordinates=",0,0,2

"     Neighbor atom：","2c-Co"

"                  Cartesian=",0,2.885,5.946

"                  SP coordinates=",-.333,.333,2

6," The distance of","2c-Co","and","2c-Co"," d===",2.8936

"    Coordinates of these two atoms:"

"   ","2c-Co",":","Cartesian =",-2.501,-1.4468,1.982

"                  SP coordinates=",-.333,-.667,1

"   ","2c-Co",":","Cartesian =",-2.501,1.4468,1.982

"                  SP coordinates=",-.667,-.333,1

"   Neighbors of","2c-Co","at",-2.501,-1.4468,1.982,"    N=",3

"                           SP coordinates=",-.333,-.667,1

"     Neighbor atom：","1a-Sm"

"                  Cartesian=",-5.002,0,1.982

"                  SP coordinates=",-1,-1,1

"     Neighbor atom：","2c-Co"

"                  Cartesian=",-2.501,1.4468,1.982

"                  SP coordinates=",-.667,-.333,1

"     Neighbor atom：","1a-Sm"

"                  Cartesian=",0,0,1.982

"                  SP coordinates=",0,0,1

"   Neighbors of","2c-Co","at",-2.501,1.4468,1.982,"    N=",3

"                           SP coordinates=",-.667,-.333,1

"     Neighbor atom：","1a-Sm"

"                  Cartesian=",-5.002,0,1.982

"                  SP coordinates=",-1,-1,1

"     Neighbor atom：","2c-Co"

"                  Cartesian=",-2.501,-1.4468,1.982

"                  SP coordinates=",-.333,-.667,1

"     Neighbor atom：","1a-Sm"

"                  Cartesian=",0,0,1.982

"                  SP coordinates=",0,0,1

7," The distance of","3g-Co","and","1a-Sm"," d===",3.1911

"    Coordinates of these two atoms:"

"   ","3g-Co",":","Cartesian =",7.503,0,-3.964

"                  SP coordinates=",1.5,1.5,-.5

"   ","1a-Sm",":","Cartesian =",10.004,0,-5.946

"                  SP coordinates=",2,2,-1

"   Neighbors of","3g-Co","at",7.503,0,-3.964,"    N=",4

"                           SP coordinates=",1.5,1.5,-.5

"     Neighbor atom：","1a-Sm"

"                  Cartesian=",5.002,0,-5.946

"                  SP coordinates=",1,1,-1

"     Neighbor atom：","1a-Sm"

"                  Cartesian=",5.002,0,-1.982

"                  SP coordinates=",1,1,0

"     Neighbor atom：","1a-Sm"

"                 Cartesian=",10.004,0,-5.946

"                  SP coordinates=",2,2,-1

"     Neighbor atom：","1a-Sm"

"                  Cartesian=",10.004,0,-1.982

"                  SP coordinates=",2,2,0

"   Neighbors of","1a-Sm","at",10.004,0,-5.946,"    N=",12

"                           SP coordinates=",2,2,-1

"     Neighbor atom：","3g-Co"

"                  Cartesian=",7.503,0,-7.928

"                  SP coordinates=",1.5,1.5,-1.5

"     Neighbor atom：","3g-Co"

"                  Cartesian=",7.503,0,-3.964

"                  SP coordinates=",1.5,1.5,-.5

"     Neighbor atom：","3g-Co"

"                  Cartesian=",8.7535,-2.1659,-7.928

"                  SP coordinates=",2,1.5,-1.5

"     Neighbor atom：","3g-Co"

"                  Cartesian=",8.7535,-2.1659,-3.964

"                  SP coordinates=",2,1.5,-.5

"     Neighbor atom：","3g-Co"

"                  Cartesian=",8.7535,2.1659,-7.928

"                  SP coordinates=",1.5,2,-1.5

"     Neighbor atom：","3g-Co"

"                  Cartesian=",8.7535,2.1659,-3.964

"                  SP coordinates=",1.5,2,-.5

"     Neighbor atom：","3g-Co"

"                  Cartesian=",11.2545,-2.1659,-7.928

"                  SP coordinates=",2.5,2,-1.5

"     Neighbor atom：","3g-Co"

"                  Cartesian=",11.2545,-2.1659,-3.964

"                  SP coordinates=",2.5,2,-.5

"     Neighbor atom：","3g-Co"

"                  Cartesian=",11.2545,2.1659,-7.928

"                  SP coordinates=",2,2.5,-1.5

"     Neighbor atom：","3g-Co"

"                  Cartesian=",11.2545,2.1659,-3.964

"                  SP coordinates=",2,2.5,-.5

"     Neighbor atom：","3g-Co"

"                  Cartesian=",12.505,0,-7.928

"                  SP coordinates=",2.5,2.5,-1.5

"     Neighbor atom：","3g-Co"

"                  Cartesian=",12.505,0,-3.964

"                  SP coordinates=",2.5,2.5,-.5

8," The distance of","3g-Co","and","3g-Co"," d===",3.964

"    Coordinates of these two atoms:"

"   ","3g-Co",":","Cartesian =",1.2505,2.1659,0

"                  SP coordinates=",0,.5,.5

"   ","3g-Co",":","Cartesian =",1.2505,2.1659,3.964

"                  SP coordinates=",0,.5,1.5

"   Neighbors of","3g-Co","at",1.2505,2.1659,0,"    N=",2

"                           SP coordinates=",0,.5,.5

"     Neighbor atom：","3g-Co"

"                  Cartesian=",1.2505,2.1659,-3.964

"                  SP coordinates=",0,.5,-.5

"     Neighbor atom：","3g-Co"

"                  Cartesian=",1.2505,2.1659,3.964

"                  SP coordinates=",0,.5,1.5

"   Neighbors of","3g-Co","at",1.2505,2.1659,3.964,"    N=",2

"                           SP coordinates=",0,.5,1.5

"     Neighbor atom：","3g-Co"

"                  Cartesian=",1.2505,2.1659,0

"                  SP coordinates=",0,.5,.5

"     Neighbor atom：","3g-Co"

"                  Cartesian=",1.2505,2.1659,7.928

"                  SP coordinates=",0,.5,2.5

9," The distance of","1a-Sm","and","1a-Sm"," d===",3.964

"    Coordinates of these two atoms:"

"   ","1a-Sm",":","Cartesian =",0,-8.6637,1.982

"                  SP coordinates=",1,-1,1

"   ","1a-Sm",":","Cartesian =",0,-8.6637,5.946

"                  SP coordinates=",1,-1,2

"   Neighbors of","1a-Sm","at",0,-8.6637,1.982,"    N=",2

"                           SP coordinates=",1,-1,1

"     Neighbor atom：","1a-Sm"

"                  Cartesian=",0,-8.6637,-1.982

"                  SP coordinates=",1,-1,0

"     Neighbor atom：","1a-Sm"

"                  Cartesian=",0,-8.6637,5.946

"                  SP coordinates=",1,-1,2

"   Neighbors of","1a-Sm","at",0,-8.6637,5.946,"    N=",2

"                           SP coordinates=",1,-1,2

"     Neighbor atom：","1a-Sm"

"                  Cartesian=",0,-8.6637,1.982

"                  SP coordinates=",1,-1,1

"     Neighbor atom：","1a-Sm"

"                  Cartesian=",0,-8.6637,9.91

"                  SP coordinates=",1,-1,3

10," The distance of","2c-Co","and","2c-Co"," d===",3.964

"    Coordinates of these two atoms:"

"   ","2c-Co",":","Cartesian =",2.501,-10.1106,-1.982

"                  SP coordinates=",1.667,-.667,0

"   ","2c-Co",":","Cartesian =",2.501,-10.1106,1.982

"                  SP coordinates=",1.667,-.667,1

"   Neighbors of","2c-Co","at",2.501,-10.1106,-1.982,"    N=",2

"                           SP coordinates=",1.667,-.667,0

"     Neighbor atom：","2c-Co"

"                  Cartesian=",2.501,-10.1106,-5.946

"                  SP coordinates=",1.667,-.667,-1

"     Neighbor atom：","2c-Co"

"                  Cartesian=",2.501,-10.1106,1.982

"                  SP coordinates=",1.667,-.667,1

"   Neighbors of","2c-Co","at",2.501,-10.1106,1.982,"    N=",2

"                           SP coordinates=",1.667,-.667,1

"     Neighbor atom：","2c-Co"

"                  Cartesian=",2.501,-10.1106,-1.982

"                  SP coordinates=",1.667,-.667,0

"     Neighbor atom：","2c-Co"

"                  Cartesian=",2.501,-10.1106,5.946

"                  SP coordinates=",1.667,-.667,2

11," The distance of","2c-Co","and","3g-Co"," d===",4.3019

"    Coordinates of these two atoms:"

"   ","2c-Co",":","Cartesian =",0,2.885,1.982

"                  SP coordinates=",-.333,.333,1

"   ","3g-Co",":","Cartesian =",2.501,0,0

"                  SP coordinates=",.5,.5,.5

"   Neighbors of","2c-Co","at",0,2.885,1.982,"    N=",12

"                           SP coordinates=",-.333,.333,1

"     Neighbor atom：","3g-Co"

"                  Cartesian=",-3.7515,2.1659,0

"                  SP coordinates=",-1,-.5,.5

"     Neighbor atom：","3g-Co"

"                  Cartesian=",-3.7515,2.1659,3.964

"                  SP coordinates=",-1,-.5,1.5

"     Neighbor atom：","3g-Co"

"                  Cartesian=",-2.501,0,0

"                  SP coordinates=",-.5,-.5,.5

"     Neighbor atom：","3g-Co"

"                  Cartesian=",-2.501,0,3.964

"                  SP coordinates=",-.5,-.5,1.5

"     Neighbor atom：","3g-Co"

"                  Cartesian=",-1.2505,6.4978,0

"                  SP coordinates=",-1,.5,.5

"     Neighbor atom：","3g-Co"

"                  Cartesian=",-1.2505,6.4978,3.964

"                  SP coordinates=",-1,.5,1.5

"     Neighbor atom：","3g-Co"

"                 Cartesian=",1.2505,6.4978,0

"                  SP coordinates=",-.5,1,.5

"     Neighbor atom：","3g-Co"

"                  Cartesian=",1.2505,6.4978,3.964

"                  SP coordinates=",-.5,1,1.5

"     Neighbor atom：","3g-Co"

"                  Cartesian=",2.501,0,0

"                  SP coordinates=",.5,.5,.5

"     Neighbor atom：","3g-Co"

"                  Cartesian=",2.501,0,3.964

"                  SP coordinates=",.5,.5,1.5

"     Neighbor atom：","3g-Co"

"                  Cartesian=",3.7515,2.1659,0

"                  SP coordinates=",.5,1,.5

"     Neighbor atom：","3g-Co"

"                  Cartesian=",3.7515,2.1659,3.964

"                  SP coordinates=",.5,1,1.5

"   Neighbors of","3g-Co","at",2.501,0,0,"    N=",8

"                           SP coordinates=",.5,.5,.5

"     Neighbor atom：","2c-Co"

"                  Cartesian=",0,-2.885,-1.982

"                  SP coordinates=",.333,-.333,0

"     Neighbor atom：","2c-Co"

"                  Cartesian=",0,-2.885,1.982

"                  SP coordinates=",.333,-.333,1

"     Neighbor atom：","2c-Co"

"                  Cartesian=",0,2.885,-1.982

"                  SP coordinates=",-.333,.333,0

"     Neighbor atom：","2c-Co"

"                  Cartesian=",0,2.885,1.982

"                  SP coordinates=",-.333,.333,1

"     Neighbor atom：","2c-Co"

"                  Cartesian=",5.002,-2.885,-1.982

"                  SP coordinates=",1.333,.667,0

"     Neighbor atom：","2c-Co"

"                  Cartesian=",5.002,-2.885,1.982

"                  SP coordinates=",1.333,.667,1

"     Neighbor atom：","2c-Co"

"                  Cartesian=",5.002,2.885,-1.982

"                  SP coordinates=",.667,1.333,0

"     Neighbor atom：","2c-Co"

"                  Cartesian=",5.002,2.885,1.982

"                  SP coordinates=",.667,1.333,1

12," The distance of","3g-Co","and","3g-Co"," d===",4.3318

"    Coordinates of these two atoms:"

"   ","3g-Co",":","Cartesian =",-1.2505,-2.1659,0

"                  SP coordinates=",0,-.5,.5

"   ","3g-Co",":","Cartesian =",-1.2505,2.1659,0

"                  SP coordinates=",-.5,0,.5

"   Neighbors of","3g-Co","at",-1.2505,-2.1659,0,"    N=",4

"                           SP coordinates=",0,-.5,.5

"     Neighbor atom：","3g-Co"

"                  Cartesian=",-5.002,-4.3319,0

"                  SP coordinates=",-.5,-1.5,.5

"     Neighbor atom：","3g-Co"

"                  Cartesian=",-1.2505,-6.4978,0

"                  SP coordinates=",.5,-1,.5

"     Neighbor atom：","3g-Co"

"                  Cartesian=",-1.2505,2.1659,0

"                  SP coordinates=",-.5,0,.5

"     Neighbor atom：","3g-Co"

"                  Cartesian=",2.501,0,0

"                  SP coordinates=",.5,.5,.5

"   Neighbors of","3g-Co","at",-1.2505,2.1659,0,"    N=",4

"                           SP coordinates=",-.5,0,.5

"     Neighbor atom：","3g-Co"

"                  Cartesian=",-5.002,4.3319,0

"                  SP coordinates=",-1.5,-.5,.5

"     Neighbor atom：","3g-Co"

"                  Cartesian=",-1.2505,-2.1659,0

"                  SP coordinates=",0,-.5,.5

"     Neighbor atom：","3g-Co"

"                  Cartesian=",-1.2505,6.4978,0

"                  SP coordinates=",-1,.5,.5

"     Neighbor atom：","3g-Co"

"                  Cartesian=",2.501,0,0

"                  SP coordinates=",.5,.5,.5

13," The distance of","3g-Co","and","3g-Co"," d===",4.687

"    Coordinates of these two atoms:"

"   ","3g-Co",":","Cartesian =",-1.2505,-2.1659,3.964

"                  SP coordinates=",0,-.5,1.5

"   ","3g-Co",":","Cartesian =",1.2505,-2.1659,0

"                  SP coordinates=",.5,0,.5

"   Neighbors of","3g-Co","at",-1.2505,-2.1659,3.964,"    N=",8

"                           SP coordinates=",0,-.5,1.5

"     Neighbor atom：","3g-Co"

"                  Cartesian=",-3.7515,-2.1659,0

"                  SP coordinates=",-.5,-1,.5

"     Neighbor atom：","3g-Co"

"                  Cartesian=",-3.7515,-2.1659,7.928

"                  SP coordinates=",-.5,-1,2.5

"     Neighbor atom：","3g-Co"

"                  Cartesian=",-2.501,0,0

"                  SP coordinates=",-.5,-.5,.5

"     Neighbor atom：","3g-Co"

"                  Cartesian=",-2.501,0,7.928

"                  SP coordinates=",-.5,-.5,2.5

"     Neighbor atom：","3g-Co"

"                  Cartesian=",0,-4.3319,0

"                  SP coordinates=",.5,-.5,.5

"     Neighbor atom：","3g-Co"

"                  Cartesian=",0,-4.3319,7.928

"                  SP coordinates=",.5,-.5,2.5

"     Neighbor atom：","3g-Co"

"                 Cartesian=",1.2505,-2.1659,0

"                  SP coordinates=",.5,0,.5

"     Neighbor atom：","3g-Co"

"                  Cartesian=",1.2505,-2.1659,7.928

"                  SP coordinates=",.5,0,2.5

"   Neighbors of","3g-Co","at",1.2505,-2.1659,0,"    N=",8

"                           SP coordinates=",.5,0,.5

"     Neighbor atom：","3g-Co"

"                  Cartesian=",-1.2505,-2.1659,-3.964

"                  SP coordinates=",0,-.5,-.5

"     Neighbor atom：","3g-Co"

"                  Cartesian=",-1.2505,-2.1659,3.964

"                  SP coordinates=",0,-.5,1.5

"     Neighbor atom：","3g-Co"

"                  Cartesian=",0,-4.3319,-3.964

"                  SP coordinates=",.5,-.5,-.5

"     Neighbor atom：","3g-Co"

"                  Cartesian=",0,-4.3319,3.964

"                  SP coordinates=",.5,-.5,1.5

"     Neighbor atom：","3g-Co"

"                  Cartesian=",2.501,0,-3.964

"                  SP coordinates=",.5,.5,-.5

"     Neighbor atom：","3g-Co"

"                  Cartesian=",2.501,0,3.964

"                 SP coordinates=",.5,.5,1.5

"     Neighbor atom：","3g-Co"

"                  Cartesian=",3.7515,-2.1659,-3.964

"                  SP coordinates=",1,.5,-.5

"     Neighbor atom：","3g-Co"

"                  Cartesian=",3.7515,-2.1659,3.964

"                 SP coordinates=",1,.5,1.5

14," The distance of","3g-Co","and","1a-Sm"," d===",4.7637

"    Coordinates of these two atoms:"

"   ","3g-Co",":","Cartesian =",-1.2505,-6.4978,3.964

"                  SP coordinates=",.5,-1,1.5

"   ","1a-Sm",":","Cartesian =",2.501,-4.3319,5.946

"                  SP coordinates=",1,0,2

"   Neighbors of","3g-Co","at",-1.2505,-6.4978,3.964,"    N=",4

"                           SP coordinates=",.5,-1,1.5

"     Neighbor atom：","1a-Sm"

"                  Cartesian=",-5.002,-8.6637,1.982

"                  SP coordinates=",0,-2,1

"     Neighbor atom：","1a-Sm"

"                  Cartesian=",-5.002,-8.6637,5.946

"                  SP coordinates=",0,-2,2

"     Neighbor atom：","1a-Sm"

"                  Cartesian=",2.501,-4.3319,1.982

"                  SP coordinates=",1,0,1

"     Neighbor atom：","1a-Sm"

"                  Cartesian=",2.501,-4.3319,5.946

"                  SP coordinates=",1,0,2

"   Neighbors of","1a-Sm","at",2.501,-4.3319,5.946,"    N=",12

"                           SP coordinates=",1,0,2

"     Neighbor atom：","3g-Co"

"                  Cartesian=",-1.2505,-6.4978,3.964

"                  SP coordinates=",.5,-1,1.5

"     Neighbor atom：","3g-Co"

"                  Cartesian=",-1.2505,-6.4978,7.928

"                 SP coordinates=",.5,-1,2.5

"     Neighbor atom：","3g-Co"

"                  Cartesian=",-1.2505,-2.1659,3.964

"                  SP coordinates=",0,-.5,1.5

"     Neighbor atom：","3g-Co"

"                  Cartesian=",-1.2505,-2.1659,7.928

"                 SP coordinates=",0,-.5,2.5

"     Neighbor atom：","3g-Co"

"                  Cartesian=",2.501,-8.6637,3.964

"                  SP coordinates=",1.5,-.5,1.5

"     Neighbor atom：","3g-Co"

"                  Cartesian=",2.501,-8.6637,7.928

"                 SP coordinates=",1.5,-.5,2.5

"     Neighbor atom：","3g-Co"

"                  Cartesian=",2.501,0,3.964

"                  SP coordinates=",.5,.5,1.5

"     Neighbor atom：","3g-Co"

"                  Cartesian=",2.501,0,7.928

"                 SP coordinates=",.5,.5,2.5

"     Neighbor atom：","3g-Co"

"                  Cartesian=",6.2525,-6.4978,3.964

"                  SP coordinates=",2,.5,1.5

"     Neighbor atom：","3g-Co"

"                  Cartesian=",6.2525,-6.4978,7.928

"                  SP coordinates=",2,.5,2.5

"     Neighbor atom：","3g-Co"

"                  Cartesian=",6.2525,-2.1659,3.964

"                  SP coordinates=",1.5,1,1.5

"     Neighbor atom：","3g-Co"

"                  Cartesian=",6.2525,-2.1659,7.928

"                  SP coordinates=",1.5,1,2.5

15," The distance of","1a-Sm","and","2c-Co"," d===",4.9027

"    Coordinates of these two atoms:"

"   ","1a-Sm",":","Cartesian =",0,0,5.946

"                  SP coordinates=",0,0,2

"   ","2c-Co",":","Cartesian =",0,2.885,1.982

"                  SP coordinates=",-.333,.333,1

"   Neighbors of","1a-Sm","at",0,0,5.946,"    N=",12

"                           SP coordinates=",0,0,2

"     Neighbor atom：","2c-Co"

"                  Cartesian=",-2.501,-1.4468,1.982

"                  SP coordinates=",-.333,-.667,1

"     Neighbor atom：","2c-Co"

"                  Cartesian=",-2.501,-1.4468,9.91

"                  SP coordinates=",-.333,-.667,3

"     Neighbor atom：","2c-Co"

"                  Cartesian=",-2.501,1.4468,1.982

"                  SP coordinates=",-.667,-.333,1

"     Neighbor atom：","2c-Co"

"                  Cartesian=",-2.501,1.4468,9.91

"                  SP coordinates=",-.667,-.333,3

"     Neighbor atom：","2c-Co"

"                  Cartesian=",0,-2.885,1.982

"                  SP coordinates=",.333,-.333,1

"     Neighbor atom：","2c-Co"

"                  Cartesian=",0,-2.885,9.91

"                  SP coordinates=",.333,-.333,3

"     Neighbor atom：","2c-Co"

"                  Cartesian=",0,2.885,1.982

"                  SP coordinates=",-.333,.333,1

"     Neighbor atom：","2c-Co"

"                  Cartesian=",0,2.885,9.91

"                  SP coordinates=",-.333,.333,3

"     Neighbor atom：","2c-Co"

"                  Cartesian=",2.501,-1.4468,1.982

"                  SP coordinates=",.667,.333,1

"     Neighbor atom：","2c-Co"

"                  Cartesian=",2.501,-1.4468,9.91

"                  SP coordinates=",.667,.333,3

"     Neighbor atom：","2c-Co"

"                  Cartesian=",2.501,1.4468,1.982

"                  SP coordinates=",.333,.667,1

"     Neighbor atom：","2c-Co"

"                  Cartesian=",2.501,1.4468,9.91

"                  SP coordinates=",.333,.667,3

"   Neighbors of","2c-Co","at",0,2.885,1.982,"    N=",10

"                           SP coordinates=",-.333,.333,1

"     Neighbor atom：","2c-Co"

"                  Cartesian=",-2.501,1.4468,-1.982

"                  SP coordinates=",-.667,-.333,0

"     Neighbor atom：","2c-Co"

"                  Cartesian=",-2.501,1.4468,5.946

"                  SP coordinates=",-.667,-.333,2

"     Neighbor atom：","1a-Sm"

"                  Cartesian=",-2.501,4.3319,-1.982

"                  SP coordinates=",-1,0,0

"     Neighbor atom：","1a-Sm"

"                  Cartesian=",-2.501,4.3319,5.946

"                  SP coordinates=",-1,0,2

"     Neighbor atom：","1a-Sm"

"                  Cartesian=",0,0,-1.982

"                  SP coordinates=",0,0,0

"     Neighbor atom：","1a-Sm"

"                  Cartesian=",0,0,5.946

"                  SP coordinates=",0,0,2

"     Neighbor atom：","2c-Co"

"                  Cartesian=",2.501,1.4468,-1.982

"                  SP coordinates=",.333,.667,0

"     Neighbor atom：","2c-Co"

"                  Cartesian=",2.501,1.4468,5.946

"                  SP coordinates=",.333,.667,2

"     Neighbor atom：","1a-Sm"

"                  Cartesian=",2.501,4.3319,-1.982

"                  SP coordinates=",0,1,0

"     Neighbor atom：","1a-Sm"

"                  Cartesian=",2.501,4.3319,5.946

"                  SP coordinates=",0,1,2

16," The distance of","2c-Co","and","2c-Co"," d===",4.9027

"    Coordinates of these two atoms:"

"   ","2c-Co",":","Cartesian =",0,2.885,1.982

"                  SP coordinates=",-.333,.333,1

"   ","2c-Co",":","Cartesian =",2.501,1.4468,-1.982

"                  SP coordinates=",.333,.667,0

"   Neighbors of","2c-Co","at",0,2.885,1.982,"    N=",10

"                           SP coordinates=",-.333,.333,1

"     Neighbor atom：","2c-Co"

"                  Cartesian=",-2.501,1.4468,-1.982

"                  SP coordinates=",-.667,-.333,0

"     Neighbor atom：","2c-Co"

"                  Cartesian=",-2.501,1.4468,5.946

"                  SP coordinates=",-.667,-.333,2

"     Neighbor atom：","1a-Sm"

"                  Cartesian=",-2.501,4.3319,-1.982

"                  SP coordinates=",-1,0,0

"     Neighbor atom：","1a-Sm"

"                  Cartesian=",-2.501,4.3319,5.946

"                  SP coordinates=",-1,0,2

"     Neighbor atom：","1a-Sm"

"                  Cartesian=",0,0,-1.982

"                  SP coordinates=",0,0,0

"     Neighbor atom：","1a-Sm"

"                  Cartesian=",0,0,5.946

"                  SP coordinates=",0,0,2

"     Neighbor atom：","2c-Co"

"                  Cartesian=",2.501,1.4468,-1.982

"                  SP coordinates=",.333,.667,0

"     Neighbor atom：","2c-Co"

"                  Cartesian=",2.501,1.4468,5.946

"                  SP coordinates=",.333,.667,2

"     Neighbor atom：","1a-Sm"

"                  Cartesian=",2.501,4.3319,-1.982

"                  SP coordinates=",0,1,0

"     Neighbor atom：","1a-Sm"

"                 Cartesian=",2.501,4.3319,5.946

"                  SP coordinates=",0,1,2

"   Neighbors of","2c-Co","at",2.501,1.4468,-1.982,"    N=",10

"                           SP coordinates=",.333,.667,0

"     Neighbor atom：","1a-Sm"

"                  Cartesian=",0,0,-5.946

"                  SP coordinates=",0,0,-1

"     Neighbor atom：","1a-Sm"

"                  Cartesian=",0,0,1.982

"                  SP coordinates=",0,0,1

"     Neighbor atom：","2c-Co"

"                  Cartesian=",0,2.885,-5.946

"                 SP coordinates=",-.333,.333,-1

"     Neighbor atom：","2c-Co"

"                  Cartesian=",0,2.885,1.982

"                  SP coordinates=",-.333,.333,1

"     Neighbor atom：","1a-Sm"

"                  Cartesian=",2.501,4.3319,-5.946

"                  SP coordinates=",0,1,-1

"     Neighbor atom：","1a-Sm"

"                  Cartesian=",2.501,4.3319,1.982

"                  SP coordinates=",0,1,1

"     Neighbor atom：","1a-Sm"

"                  Cartesian=",5.002,0,-5.946

"                  SP coordinates=",1,1,-1

"     Neighbor atom：","1a-Sm"

"                  Cartesian=",5.002,0,1.982

"                  SP coordinates=",1,1,1

"     Neighbor atom：","2c-Co"

"                  Cartesian=",5.002,2.885,-5.946

"                  SP coordinates=",.667,1.333,-1

"     Neighbor atom：","2c-Co"

"                  Cartesian=",5.002,2.885,1.982

"                  SP coordinates=",.667,1.333,1

17," The distance of","2c-Co","and","1a-Sm"," d===",4.9028

"    Coordinates of these two atoms:"

"   ","2c-Co",":","Cartesian =",-2.501,1.4468,5.946

"                  SP coordinates=",-.667,-.333,2

"   ","1a-Sm",":","Cartesian =",-2.501,4.3319,1.982

"                  SP coordinates=",-1,0,1

"   Neighbors of","2c-Co","at",-2.501,1.4468,5.946,"    N=",12

"                          SP coordinates=",-.667,-.333,2

"     Neighbor atom：","1a-Sm"

"                  Cartesian=",-5.002,0,1.982

"                  SP coordinates=",-1,-1,1

"     Neighbor atom：","1a-Sm"

"                  Cartesian=",-5.002,0,9.91

"                 SP coordinates=",-1,-1,3

"     Neighbor atom：","2c-Co"

"                  Cartesian=",-5.002,2.885,1.982

"                  SP coordinates=",-1.333,-.667,1

"     Neighbor atom：","2c-Co"

"                  Cartesian=",-5.002,2.885,9.91

"                  SP coordinates=",-1.333,-.667,3

"     Neighbor atom：","2c-Co"

"                  Cartesian=",-2.501,-1.4468,1.982

"                  SP coordinates=",-.333,-.667,1

"     Neighbor atom：","2c-Co"

"                  Cartesian=",-2.501,-1.4468,9.91

"                 SP coordinates=",-.333,-.667,3

"     Neighbor atom：","1a-Sm"

"                  Cartesian=",-2.501,4.3319,1.982

"                  SP coordinates=",-1,0,1

"     Neighbor atom：","1a-Sm"

"                  Cartesian=",-2.501,4.3319,9.91

"                 SP coordinates=",-1,0,3

"     Neighbor atom：","1a-Sm"

"                  Cartesian=",0,0,1.982

"                  SP coordinates=",0,0,1

"     Neighbor atom：","1a-Sm"

"                  Cartesian=",0,0,9.91

"                  SP coordinates=",0,0,3

"     Neighbor atom：","2c-Co"

"                  Cartesian=",0,2.885,1.982

"                  SP coordinates=",-.333,.333,1

"     Neighbor atom：","2c-Co"

"                  Cartesian=",0,2.885,9.91

"                  SP coordinates=",-.333,.333,3

"   Neighbors of","1a-Sm","at",-2.501,4.3319,1.982,"    N=",12

"                           SP coordinates=",-1,0,1

"     Neighbor atom：","2c-Co"

"                  Cartesian=",-5.002,2.885,-1.982

"                  SP coordinates=",-1.333,-.667,0

"     Neighbor atom：","2c-Co"

"                  Cartesian=",-5.002,2.885,5.946

"                  SP coordinates=",-1.333,-.667,2

"     Neighbor atom：","2c-Co"

"                  Cartesian=",-5.002,5.7787,-1.982

"                  SP coordinates=",-1.667,-.333,0

"     Neighbor atom：","2c-Co"

"                  Cartesian=",-5.002,5.7787,5.946

"                  SP coordinates=",-1.667,-.333,2

"     Neighbor atom：","2c-Co"

"                  Cartesian=",-2.501,1.4468,-1.982

"                  SP coordinates=",-.667,-.333,0

"    Neighbor atom：","2c-Co"

"                  Cartesian=",-2.501,1.4468,5.946

"                  SP coordinates=",-.667,-.333,2

"     Neighbor atom：","2c-Co"

"                  Cartesian=",-2.501,7.2169,-1.982

"                  SP coordinates=",-1.333,.333,0

"     Neighbor atom：","2c-Co"

"                  Cartesian=",-2.501,7.2169,5.946

"                  SP coordinates=",-1.333,.333,2

"     Neighbor atom：","2c-Co"

"                  Cartesian=",0,2.885,-1.982

"                  SP coordinates=",-.333,.333,0

"     Neighbor atom：","2c-Co"

"                  Cartesian=",0,2.885,5.946

"                  SP coordinates=",-.333,.333,2

"     Neighbor atom：","2c-Co"

"                  Cartesian=",0,5.7787,-1.982

"                  SP coordinates=",-.667,.667,0

"     Neighbor atom：","2c-Co"

"                  Cartesian=",0,5.7787,5.946

"                  SP coordinates=",-.667,.667,2

18," The distance of","2c-Co","and","2c-Co"," d===",4.9078

"    Coordinates of these two atoms:"

"   ","2c-Co",":","Cartesian =",2.501,-1.4468,1.982

"                  SP coordinates=",.667,.333,1

"   ","2c-Co",":","Cartesian =",2.501,1.4468,5.946

"                  SP coordinates=",.333,.667,2

"   Neighbors of","2c-Co","at",2.501,-1.4468,1.982,"    N=",8

"                           SP coordinates=",.667,.333,1

"     Neighbor atom：","1a-Sm"

"                  Cartesian=",0,0,-1.982

"                  SP coordinates=",0,0,0

"     Neighbor atom：","1a-Sm"

"                  Cartesian=",0,0,5.946

"                  SP coordinates=",0,0,2

"     Neighbor atom：","1a-Sm"

"                  Cartesian=",2.501,-4.3319,-1.982

"                  SP coordinates=",1,0,0

"     Neighbor atom：","1a-Sm"

"                  Cartesian=",2.501,-4.3319,5.946

"                  SP coordinates=",1,0,2

"     Neighbor atom：","2c-Co"

"                  Cartesian=",2.501,1.4468,-1.982

"                  SP coordinates=",.333,.667,0

"     Neighbor atom：","2c-Co"

"                  Cartesian=",2.501,1.4468,5.946

"                  SP coordinates=",.333,.667,2

"     Neighbor atom：","1a-Sm"

"                  Cartesian=",5.002,0,-1.982

"                  SP coordinates=",1,1,0

"     Neighbor atom：","1a-Sm"

"                  Cartesian=",5.002,0,5.946

"                  SP coordinates=",1,1,2

"   Neighbors of","2c-Co","at",2.501,1.4468,5.946,"    N=",8

"                           SP coordinates=",.333,.667,2

"     Neighbor atom：","1a-Sm"

"                  Cartesian=",0,0,1.982

"                  SP coordinates=",0,0,1

"     Neighbor atom：","1a-Sm"

"                  Cartesian=",0,0,9.91

"                  SP coordinates=",0,0,3

"     Neighbor atom：","2c-Co"

"                  Cartesian=",2.501,-1.4468,1.982

"                  SP coordinates=",.667,.333,1

"     Neighbor atom：","2c-Co"

"                  Cartesian=",2.501,-1.4468,9.91

"                  SP coordinates=",.667,.333,3

"     Neighbor atom：","1a-Sm"

"                  Cartesian=",2.501,4.3319,1.982

"                  SP coordinates=",0,1,1

"     Neighbor atom：","1a-Sm"

"                  Cartesian=",2.501,4.3319,9.91

"                  SP coordinates=",0,1,3

"     Neighbor atom：","1a-Sm"

"                  Cartesian=",5.002,0,1.982

"                  SP coordinates=",1,1,1

"     Neighbor atom：","1a-Sm"

"                  Cartesian=",5.002,0,9.91

"                  SP coordinates=",1,1,3

19," The distance of","2c-Co","and","2c-Co"," d===",4.9078

"    Coordinates of these two atoms:"

"   ","2c-Co",":","Cartesian =",2.501,7.2169,5.946

"                  SP coordinates=",-.333,1.333,2

"   ","2c-Co",":","Cartesian =",2.501,10.1106,1.982

"                  SP coordinates=",-.667,1.667,1

"   Neighbors of","2c-Co","at",2.501,7.2169,5.946,"    N=",6

"                           SP coordinates=",-.333,1.333,2

"     Neighbor atom：","1a-Sm"

"                  Cartesian=",0,8.6637,1.982

"                  SP coordinates=",-1,1,1

"     Neighbor atom：","1a-Sm"

"                  Cartesian=",0,8.6637,9.91

"                  SP coordinates=",-1,1,3

"     Neighbor atom：","2c-Co"

"                  Cartesian=",2.501,10.1106,1.982

"                  SP coordinates=",-.667,1.667,1

"     Neighbor atom：","2c-Co"

"                  Cartesian=",2.501,10.1106,9.91

"                  SP coordinates=",-.667,1.667,3

"     Neighbor atom：","1a-Sm"

"                  Cartesian=",5.002,8.6637,1.982

"                  SP coordinates=",0,2,1

"     Neighbor atom：","1a-Sm"

"                  Cartesian=",5.002,8.6637,9.91

"                  SP coordinates=",0,2,3

"   Neighbors of","2c-Co","at",2.501,10.1106,1.982,"    N=",6

"                           SP coordinates=",-.667,1.667,1

"     Neighbor atom：","1a-Sm"

"                  Cartesian=",0,8.6637,-1.982

"                  SP coordinates=",-1,1,0

"     Neighbor atom：","1a-Sm"

"                  Cartesian=",0,8.6637,5.946

"                  SP coordinates=",-1,1,2

"     Neighbor atom：","2c-Co"

"                  Cartesian=",2.501,7.2169,-1.982

"                  SP coordinates=",-.333,1.333,0

"     Neighbor atom：","2c-Co"

"                  Cartesian=",2.501,7.2169,5.946

"                  SP coordinates=",-.333,1.333,2

"     Neighbor atom：","1a-Sm"

"                  Cartesian=",5.002,8.6637,-1.982

"                  SP coordinates=",0,2,0

"     Neighbor atom：","1a-Sm"

"                  Cartesian=",5.002,8.6637,5.946

"                  SP coordinates=",0,2,2