| 1 |
,,,,,,,,,,,,,,,, |
| 2 |
,,Linear Quad,,,,,,,,,,,,,, |
| 3 |
,,"Undamped, SP, R = 15",,,,,,,,,,,,,, |
| 4 |
qxx,qyy ,Qzz=1/2q*z*z,Q2= 2/3(9*(qxx^2+qyy^2+qzz^2)-3(qxx+qyy+qzz)),Structure,Energy_const,No of Mol,a,Factor,Energy,Energy_code,Energy_const_code,Qzz = (3qzz-Trq),Qxx= (3qxx-Trq),Qyy=(3qzz-Trq),Q2=2/3(Q:Q),Q2 =-4/3(Qxx*Qyy+Qyy*Qzz+Qzz*Qxx) |
| 5 |
0,0,10,400,fcc,-80,32000,2,10.79493752,-345438000.64,-3.45E+008,-79.9829710362,20,-10,-10,400,400 |
| 6 |
0,0,10,400,bcc,-21.7,16000,2,10.79493752,-46850028.8368,-46961833,-21.751785461,20,-10,-10,400,400 |
| 7 |
0,0,10,400,sc,-8.3,8000,2,10.79493752,-8959798.1416,-8947276.4,-8.2884003575,20,-10,-10,400,400 |
| 8 |
0,0,2,16,fcc,-80.5,32000,2,10.79493752,-13903879.52576,-13814579,-79.9829721942,4,-2,-2,16,16 |
| 9 |
0,0,2,16,bcc,-21.7,16000,2,10.79493752,-1874001.153472,-1878473.3,-21.7517852294,4,-2,-2,16,16 |
| 10 |
0,0,2,16,sc,-8.3,8000,2,10.79493752,-358391.925664,-357891.06,-8.2884004501,4,-2,-2,16,16 |
| 11 |
0,0,1,4,fcc,-80.5,32000,2,10.79493752,-3475969.88144,-3453644.7,-79.9829710362,2,-1,-1,4,4 |
| 12 |
0,0,1,4,bcc,-21.7,16000,2,10.79493752,-468500.288368,-469618.33,-21.751785461,2,-1,-1,4,4 |
| 13 |
0,0,1,4,sc,-8.3,8000,2,10.79493752,-89597.981416,-89472.764,-8.2884003575,2,-1,-1,4,4 |
| 14 |
0,0,1,4,fcc,-80,4000,3,10.79493752,-56862.222327572,-56853.419,-79.9876145149,2,-1,-1,4,4 |
| 15 |
0,0,1,4,bcc,-21.7,3456,3,10.79493752,-13326.2304246898,13359.562,21.7542760527,2,-1,-1,4,4 |
| 16 |
0,0,1,4,sc,-8.3,2744,3,10.79493752,-4047.0265186091,-4042.5731,-8.2908665351,2,-1,-1,4,4 |
| 17 |
0,0,1.5,9,fcc,-80.5,32000,2,10.79493752,-7820932.23324,-7770700.7,-79.9829723228,3,-1.5,-1.5,9,9 |
| 18 |
0,0,1.5,9,bcc,-21.7,16000,2,10.79493752,-1054125.648828,-1056641.3,-21.7517866447,3,-1.5,-1.5,9,9 |
| 19 |
0,0,1.5,9,sc,-8.3,8000,2,10.79493752,-201595.458186,-201313.72,-8.2884003987,3,-1.5,-1.5,9,9 |
| 20 |
1.5,1.5,3,9,fcc,-80.5,32000,2,10.79493752,-7820932.23324,-7770700.7,-79.9829723228,3,-1.5,-1.5,9,9 |
| 21 |
1.5,1.5,3,9,bcc,-21.7,16000,2,10.79493752,-1054125.648828,-1056641.3,-21.7517866447,3,-1.5,-1.5,9,9 |
| 22 |
1.5,1.5,3,9,sc,-8.3,8000,2,10.79493752,-201595.458186,-201313.72,-8.2884003987,3,-1.5,-1.5,9,9 |
| 23 |
15,15,16.5,9,fcc,-80,32000,2,10.79493752,-7772355.0144,-7770700.7,-79.9829723228,3,-1.5,-1.5,9,9 |
| 24 |
15,15,16.5,9,bcc,-21.7,16000,2,10.79493752,-1054125.648828,-1056641.3,-21.7517866447,3,-1.5,-1.5,9,9 |
| 25 |
15,15,16.5,9,sc,-8.3,8000,2,10.79493752,-201595.458186,-201313.72,-8.2884003987,3,-1.5,-1.5,9,9 |
| 26 |
,,,,,,,,,,,,,,,, |
| 27 |
,,,,,,,,,,,,,,,, |
| 28 |
1,2,3,6,fcc,-80,32000,2,10.79493752,-5181570.0096,-2455654.8,-37.9136793744,3,-3,0,6,12 |
| 29 |
1,2,3,6,bcc,-21.7,16000,2,10.79493752,-702750.432552,-402555.08,-12.4303662173,3,-3,0,6,12 |
| 30 |
1,2,3,6,sc,-8.3,8000,2,10.79493752,-134396.972124,-53124.753,-3.2808436301,3,-3,0,6,12 |
| 31 |
,,,,,,,,,,,,,,,, |
| 32 |
,,,,,,,,,,,,,,,, |
| 33 |
2,3,4,6,fcc,-80,32000,2,10.79493752,-5181570.0096,-2455654.8,-37.9136793744,3,-3,0,6,12 |
| 34 |
2,3,4,6,bcc,-21.7,16000,2,10.79493752,-702750.432552,-402555.08,-12.4303662173,3,-3,0,6,12 |
| 35 |
2,3,4,6,sc,-8.3,8000,2,10.79493752,-134396.972124,-53124.753,-3.2808436301,3,-3,0,6,12 |
| 36 |
,,,,,,,,,,,,,,,, |
| 37 |
4,5,6,6,fcc,-80,32000,2,10.79493752,-5181570.0096,-2455654.8,-37.9136793744,3,-3,0,6,12 |
| 38 |
4,5,6,6,bcc,-21.7,16000,2,10.79493752,-702750.432552,-402555.08,-12.4303662173,3,-3,0,6,12 |
| 39 |
4,5,6,6,sc,-8.3,8000,2,10.79493752,-134396.972124,-53124.753,-3.2808436301,3,-3,0,6,12 |
