H* + NH2-Si on surface slat V5 (pair job 498) 1.0 7.66310000 0.00000000 0.00000000 0.00000000 25.32620000 0.00000000 0.00000000 0.00000000 10.83726000 Si O Cl H N 40 14 4 15 1 Selective dynamics Direct 0.01806588 0.46084282 0.07426195 T T T # 1 Si1 0.01166832 0.54028605 0.42994339 T T T # 2 Si2 0.27515777 0.46030869 0.18645740 T T T # 3 Si3 0.25961523 0.53685109 0.30604363 T T T # 4 Si4 0.00000000 0.23711251 0.43249270 F F F # 5 Si5 0.25000000 0.23711251 0.31750730 F F F # 6 Si6 0.00000000 0.31002987 0.06310984 F F F # 7 Si7 0.25000000 0.31002987 0.18689016 F F F # 8 Si8 0.00000000 0.38653400 0.43672229 F F F # 9 Si9 0.25000000 0.38653400 0.31327771 F F F # 10 Si10 0.00474691 0.46458603 0.55895777 T T T # 11 Si11 0.01333657 0.54003473 0.95784331 T T T # 12 Si12 0.25112069 0.46696551 0.69251136 T T T # 13 Si13 0.23829058 0.54813744 0.81377415 T T T # 14 Si14 0.25000000 0.23711251 0.81750730 F F F # 15 Si15 0.00000000 0.31002987 0.56310984 F F F # 16 Si16 0.25000000 0.31002987 0.68689016 F F F # 17 Si17 0.00000000 0.38653400 0.93672229 F F F # 18 Si18 0.25000000 0.38653400 0.81327771 F F F # 19 Si19 0.51636545 0.46707119 0.04958593 T T T # 20 Si20 0.50742095 0.54072507 0.43296507 T T T # 21 Si21 0.75409072 0.46215720 0.19194283 T T T # 22 Si22 0.75776408 0.53957382 0.30906862 T T T # 23 Si23 0.50000000 0.23711251 0.43249270 F F F # 24 Si24 0.75000000 0.23711251 0.31750730 F F F # 25 Si25 0.50000000 0.31002987 0.06310984 F F F # 26 Si26 0.75000000 0.31002987 0.18689016 F F F # 27 Si27 0.50000000 0.38653400 0.43672229 F F F # 28 Si28 0.75000000 0.38653400 0.31327771 F F F # 29 Si29 0.50220343 0.46464322 0.56383541 T T T # 30 Si30 0.48583081 0.55229084 0.94156835 T T T # 31 Si31 0.75677872 0.46619000 0.68570138 T T T # 32 Si32 0.75328705 0.53483846 0.84355224 T T T # 33 Si33 0.50000000 0.23711251 0.93249270 F F F # 34 Si34 0.75000000 0.23711251 0.81750730 F F F # 35 Si35 0.75000000 0.31002987 0.68689016 F F F # 36 Si36 0.50000000 0.38653400 0.93672229 F F F # 37 Si37 0.75000000 0.38653400 0.81327771 F F F # 38 Si38 0.07808656 0.65528166 0.80126583 T T T # 39 Si39 0.48421420 0.66295444 0.48474689 T T T # 40 Si40 0.18625635 0.60270942 0.72748347 T T T # 41 O1 0.50604344 0.60072231 0.50751922 T T T # 42 O2 0.03155529 0.59781520 0.50760250 T T T # 43 O3 0.26341687 0.59478446 0.22150607 T T T # 44 O7 0.02242745 0.59147690 0.05895400 T T T # 45 O12 0.75929150 0.59171519 0.20996222 T T T # 46 O18 0.50008081 0.60414427 0.03943524 T T T # 47 O25 0.70592979 0.47471427 0.93141379 T T T # 48 O33 0.98424543 0.18344461 0.52992852 T T T # 49 O9 0.24496773 0.18301310 0.22094282 T T T # 50 O19 0.17954736 0.17709452 0.79152145 T T T # 51 O30 0.77724754 0.18227501 0.22970530 T T T # 52 O42 0.50999436 0.18448769 0.02979093 T T T # 53 O55 0.81789196 0.18065296 0.75349478 T T T # 54 O69 0.64436663 0.69561531 0.35612459 T T T # 55 Cl4 0.79305237 0.62109075 0.75029012 T T T # 56 Cl2 0.49385605 0.70815628 0.63679285 T T T # 57 Cl3 0.04926635 0.71325306 0.65217573 T T T # 58 Cl5 0.07848982 0.59546620 0.59371063 T T T # 59 H11 0.16398519 0.59559521 0.15712370 T T T # 60 H19 0.91541198 0.59427212 0.11393896 T T T # 61 H28 0.65863847 0.59640743 0.15165987 T T T # 62 H38 0.40567984 0.60507748 0.10308984 T T T # 63 H49 0.80969790 0.45174508 0.94648585 T T T # 64 H61 0.16940437 0.64725725 0.46164971 T T T # 65 H9 0.26887159 0.65222645 0.32587360 T T T # 66 H21 0.99544929 0.14903522 0.49062943 T T T # 67 H12 0.12704686 0.17322753 0.19481578 T T T # 68 H24 0.05329172 0.17227757 0.77553419 T T T # 69 H37 0.69434820 0.17838711 0.16037345 T T T # 70 H51 0.40952242 0.18075572 0.08679097 T T T # 71 H66 0.85479092 0.18255309 0.66493067 T T T # 72 H82 0.24859598 0.76167167 0.41399192 T T T # 73 H15 0.26689720 0.66963454 0.41422095 T T T # 74 N1