./iterations/neb1_max2_image01_iter41_CONTCAR output for 41: 3.3A-->1.3A (Job 121) O-H...N hydrogen bond by TSA-OH, TSA-NH2 (TSS)
Status: finishedNo title 1.00000000000000 15.0000000000000000 0.0000000000000000 0.0000000000000000 0.0000000000000000 12.0000000000000000 0.0000000000000000 0.0000000000000000 0.0000000000000000 12.0000000000000000 N Si O H 3 6 1 19 Direct 0.3102782400000024 0.4454278600000023 0.5178134000000014 0.7260208699999993 0.5067745099999996 0.5523727699999981 0.5748117899999983 0.4647609700000004 0.4196314000000001 0.3781023199999964 0.5589019700000009 0.5382387300000033 0.1948774299999982 0.4548160300000035 0.4940312000000020 0.3546409499999967 0.3098879599999975 0.5229863899999998 0.6865688999999975 0.4898523600000004 0.4155823099999978 0.8288787299999996 0.5680347600000033 0.5792995500000018 0.6612589699999987 0.4563783899999976 0.6624678700000004 0.4506322100000020 0.5791944500000028 0.4354285699999991 0.3198432200000028 0.6584676000000016 0.5520958899999968 0.4378525099999990 0.5406973500000021 0.6362580899999983 0.1702073700000000 0.5757024299999998 0.4913285200000033 0.1434836600000011 0.3977563799999970 0.5841666500000002 0.1702542900000026 0.4024165900000014 0.3855029899999991 0.4169975000000008 0.2888525600000023 0.4282710600000001 0.2789694699999998 0.2294303799999966 0.5152868400000017 0.4044963400000015 0.2917226900000003 0.6295933399999996 0.4283195000000006 0.6005498000000031 0.3638641900000010 0.7111590900000024 0.5917418299999966 0.3529823800000003 0.7275693400000023 0.3902404500000003 0.3617309300000002 0.8738977900000009 0.5910064600000027 0.4703732700000032 0.8876219799999987 0.4927891299999985 0.6465197200000006 0.8202437899999993 0.6756918900000031 0.6416915499999973 0.5781875400000018 0.5220522099999982 0.6809787099999980 0.7181729599999969 0.4673090699999989 0.7652082399999998 0.6371552199999968 0.3367189200000027 0.6477536299999969 0.5485097600000017 0.3923239699999996 0.3864942900000017 0.5254222100000021 0.5234693600000000 0.4284680600000002 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 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