adfthf_si001:start
77 Si -2.63385864 -7.19026983 -2.34438986 Si -2.63385864 -3.35916531 -2.34438986 Si 1.19724625 -7.19026983 -2.34438986 Si -2.63385863 0.47193925 -2.34438986 Si 1.19724609 -3.35916531 -2.34438986 Si -2.63385863 4.30304380 -2.34438986 Si 1.19724638 0.47193925 -2.34438986 Si 1.19724621 4.30304380 -2.34438986 Si -0.71872933 8.12650087 -0.98645421 Si -0.71856756 -3.31591281 -0.96020197 Si 3.11253112 8.10987029 -0.95644143 Si -0.71899935 0.44415869 -0.95764499 Si 3.11256272 -3.32652940 -0.97181029 Si -0.71867819 4.35112708 -0.97616814 Si 3.11254443 0.43031524 -0.97353831 Si 3.11344687 4.33472204 -0.95882675 Si -0.72132657 -5.27301464 0.29232466 Si -0.72015812 -1.43331382 0.49488319 Si 3.11730072 -5.26556906 0.30588317 Si -0.71667699 2.41131846 0.29261533 Si 3.11376411 -1.44601505 0.46338376 Si -0.71819595 6.24079844 0.45601090 Si 3.11557099 2.37113935 0.28854523 Si 3.11369596 6.22575275 0.49858788 Si -2.62849069 -5.26232478 1.61910594 Si -2.64812100 -1.45106530 1.88466393 Si 1.19338785 -5.27494418 1.60318525 Si -2.63433177 2.39827015 1.61466981 Si 1.21006662 -1.44750187 1.87775986 Si -2.61562520 6.25114462 1.88710135 Si 1.20282843 2.39801524 1.61218384 Si 1.18001036 6.24825340 1.88540320 Si -2.49025402 -7.06288399 3.16196084 Si -2.72268976 -3.47211384 3.12809553 Si 1.05389552 -7.06563616 3.15731488 Si -2.76048246 0.56928071 3.13552799 Si 1.27713695 -3.48128329 3.09554638 Si -2.51222590 4.22602264 3.13751121 Si 1.32703803 0.57144473 3.13209785 Si 1.07816953 4.22408022 3.13627511 Si -0.71587130 -6.55440062 4.68462397 Si -0.71181354 -4.20740817 4.12304339 Si 3.11111154 -6.21487200 3.87245730 Si -0.71662395 1.44686914 3.87031884 Si 3.09066785 -3.96191573 4.56341866 Si -0.71697394 3.68718294 4.61843483 Si 3.11416926 1.09320418 4.63538199 Si 3.11428846 3.35514549 3.89423032 H -2.63385928 6.87672561 -3.12039656 H -2.63385821 -5.93286508 -3.12039612 H -2.63385861 -4.61656990 -3.12039656 H -2.63385820 -2.10176088 -3.12039612 H 1.19724577 -5.93286531 -3.12039656 H 1.19724521 6.87672538 -3.12039612 H -2.63385860 -0.78546511 -3.12039656 H -2.63385820 1.72934413 -3.12039612 H 1.19724561 -2.10176133 -3.12039656 H 1.19724572 -4.61657012 -3.12039612 H -2.63385854 3.04563989 -3.12039656 H -2.63385826 5.56044961 -3.12039612 H 1.19724590 1.72934323 -3.12039656 H 1.19724601 -0.78546557 -3.12039612 H 1.19724573 5.56044869 -3.12039656 H 1.19724584 3.04563898 -3.12039612 H -0.80783715 -1.47145681 4.76912382 H 0.73784888 -1.72003688 5.66127419 H -0.34594721 -1.26904418 7.79870451 H -1.33187372 -0.20781090 6.75873731 H -2.63078040 -2.13371024 8.16384658 H -3.03143162 -1.95772835 6.43578935 H -1.10029792 -4.00509848 7.68490697 H -2.36954204 -4.26725269 6.42769819 C -0.35333011 -1.83061883 5.70641402 C -1.02534856 -1.24885827 6.93384469 C -2.22083384 -2.18619307 7.14682210 C -1.64537697 -3.55352102 6.84473359 O -0.62580258 -3.29363890 5.78861533 VEC1 7.66220951 0.00000000 0.00000000 VEC2 0.00000000 15.32441902 0.00000000
adfthf_si001/start.txt · 最后更改: 2020/03/19 14:43 由 liu.jun