No title 1.00000000000000 20.0000000000000000 0.0000000000000000 0.0000000000000000 0.0000000000000000 15.0000000000000000 0.0000000000000000 0.0000000000000000 0.0000000000000000 15.0000000000000000 Si O C H 1 2 4 13 Selective dynamics Direct 0.3601232999999979 0.4740022100000019 0.4755273600000010 T T T 0.4257492099999993 0.5158837399999996 0.5190871000000001 T T T 0.3378772100000020 0.3706231399999993 0.5059395999999978 T T T 0.5904796700000006 0.5005397899999977 0.4953257100000030 T T T 0.2814433599999973 0.5438062599999967 0.5021731599999981 T T T 0.3683445699999979 0.3240836000000016 0.5780514300000021 T T T 0.3687032599999966 0.4671742000000023 0.3486148200000017 T T T 0.5685108799999981 0.4423241200000021 0.5304368400000001 T T T 0.5698434500000005 0.4922331900000003 0.4264827299999965 T T T 0.6562465700000004 0.5080017800000007 0.5069016200000007 F F F 0.2389152200000026 0.5096942500000026 0.4706645099999989 T T T 0.2742208599999998 0.5467621199999968 0.5747106500000001 T T T 0.2876907899999992 0.6112872300000021 0.4750085100000021 T T T 0.3759727099999992 0.2541809399999977 0.5581332300000028 T T T 0.4164027699999977 0.3541460400000034 0.5977392200000011 T T T 0.3342133599999997 0.3246734399999980 0.6359270900000027 T T T 0.3744043499999989 0.5351053500000020 0.3224678200000000 T T T 0.4136211900000006 0.4277886699999982 0.3340464500000024 T T T 0.3242261600000020 0.4346517600000013 0.3205138399999967 T T T 0.5597840100000013 0.5568762500000020 0.5200194299999978 T T T 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00