Time (fs),Charge CN,,Time (fs),Charge N-lonepair,,Time (fs),RMSD (A),,Time (fs),Kinetic Energy (eV) WP,,Time (fs),Av. Dyson Norm (norm. units)
0,2.036282353,,0,1.731003922,,0,0.185014702,,0,1.605948635,,0,0.007132011
0.5,2.032266667,,0.5,1.736803922,,0.5,0.184650403,,0.5,1.616524378,,0.5,0
1,2.036131373,,1,1.729080392,,1,0.183616865,,1,1.684879755,,1,0.002386201
1.5,2.043731373,,1.5,1.708717647,,1.5,0.182025626,,1.5,1.791262227,,1.5,0.121216238
2,2.05414902,,2,1.687566667,,2,0.180100156,,2,1.901770804,,2,0.15090024
2.5,2.063929412,,2.5,1.663533333,,2.5,0.178126974,,2.5,2.004145049,,2.5,0.184345315
3,2.079509804,,3,1.626913725,,3,0.176336145,,3,2.066885039,,3,0.2196613
3.5,2.097276471,,3.5,1.591862745,,3.5,0.174890404,,3.5,2.086909444,,3.5,0.292703552
4,2.118770588,,4,1.567378431,,4,0.173835785,,4,2.091244963,,4,0.273318274
4.5,2.146845098,,4.5,1.530123529,,4.5,0.173135637,,4.5,2.085927061,,4.5,0.278666389
5,2.176368627,,5,1.4985,,5,0.172670779,,5,2.087819712,,5,0.340250111
5.5,2.210809804,,5.5,1.465554902,,5.5,0.17229702,,5.5,2.120626376,,5.5,0.254569793
6,2.262629412,,6,1.418923529,,6,0.171956135,,6,2.180349131,,6,0.535588487
6.5,2.306886275,,6.5,1.3923,,6.5,0.171725161,,6.5,2.223292302,,6.5,0.405998886
7,2.37117451,,7,1.340323529,,7,0.171785419,,7,2.247007136,,7,0.389157769
7.5,2.426998039,,7.5,1.297909804,,7.5,0.172247236,,7.5,2.22083111,,7.5,0.506153801
8,2.483766667,,8,1.250392157,,8,0.173121146,,8,2.152309699,,8,0.512069934
8.5,2.509441176,,8.5,1.21877451,,8.5,0.174285131,,8.5,2.05665534,,8.5,0.485679776
9,2.537082353,,9,1.191458824,,9,0.175534786,,9,1.959359666,,9,0.433736855
9.5,2.604717647,,9.5,1.117484314,,9.5,0.176652206,,9.5,1.884191442,,9.5,0.484944443
10,2.667352941,,10,1.045945098,,10,0.177487694,,10,1.861393334,,10,0.487512758
10.5,2.742496078,,10.5,0.954921569,,10.5,0.178016822,,10.5,1.88696569,,10.5,0.47363869
11,2.803737255,,11,0.87662549,,11,0.178334492,,11,1.934028466,,11,0.514832269
11.5,2.826180392,,11.5,0.838960784,,11.5,0.178564589,,11.5,1.986183539,,11.5,0.480420283
12,2.816701961,,12,0.829560784,,12,0.178818503,,12,2.043593955,,12,0.464676004
12.5,2.785201961,,12.5,0.8425,,12.5,0.179207154,,12.5,2.100359876,,12.5,0.498977685
13,2.788176471,,13,0.825752941,,13,0.179841991,,13,2.14394674,,13,0.480185577
13.5,2.730688235,,13.5,0.872711765,,13.5,0.180796531,,13.5,2.162456704,,13.5,0.478588236
14,2.703278431,,14,0.897517647,,14,0.182062147,,14,2.147701257,,14,0.483560579
14.5,2.673680392,,14.5,0.928515686,,14.5,0.183545999,,14.5,2.12938878,,14.5,0.445037542
15,2.60757451,,15,1.007819608,,15,0.185150705,,15,2.131257078,,15,0.412881921
15.5,2.522798039,,15.5,1.107107843,,15.5,0.18685254,,15.5,2.152703661,,15.5,0.384007077
16,2.473860784,,16,1.169143137,,16,0.188686626,,16,2.183438474,,16,0.368269399
16.5,2.364796078,,16.5,1.229870588,,16.5,0.190700026,,16.5,2.196395722,,16.5,0.358336166
17,2.300011765,,17,1.31085098,,17,0.192902186,,17,2.204480169,,17,0.293797313
17.5,2.279098039,,17.5,1.34594902,,17.5,0.195260955,,17.5,2.192920519,,17.5,0.365494909
18,2.268066667,,18,1.358260784,,18,0.197721291,,18,2.167218695,,18,0.386817072
18.5,2.26525098,,18.5,1.366729412,,18.5,0.200217831,,18.5,2.130297912,,18.5,0.358305723
19,2.256333333,,19,1.375119608,,19,0.202677939,,19,2.093402895,,19,0.338086907
19.5,2.279607843,,19.5,1.42322549,,19.5,0.205034654,,19.5,2.055007527,,19.5,0.355701765
20,2.240447059,,20,1.45795098,,20,0.207232956,,20,2.019663919,,20,0.392852216
20.5,2.199821569,,20.5,1.490168627,,20.5,0.209242893,,20.5,1.99772344,,20.5,0.349471955
21,2.213027451,,21,1.46782549,,21,0.211057541,,21,1.986413105,,21,0.451267437
21.5,2.191347059,,21.5,1.480188235,,21.5,0.212692282,,21.5,1.995876048,,21.5,0.356688495
22,2.178421569,,22,1.483021569,,22,0.21421734,,22,2.023965952,,22,0.346046227
22.5,2.156329412,,22.5,1.506705882,,22.5,0.2157564,,22.5,2.053784406,,22.5,0.390445318
23,2.147247059,,23,1.528619608,,23,0.217425381,,23,2.067745347,,23,0.405422924
23.5,2.14085098,,23.5,1.548523529,,23.5,0.219289008,,23.5,2.062647818,,23.5,0.400623119
24,2.143156863,,24,1.557860784,,24,0.221345335,,24,2.044117628,,24,0.432861494
24.5,2.146186275,,24.5,1.57122549,,24.5,0.223527529,,24.5,2.024016355,,24.5,0.500824626
25,2.160698039,,25,1.57137451,,25,0.225729483,,25,2.014841463,,25,0.503545319
25.5,2.170801961,,25.5,1.58182549,,25.5,0.227835949,,25.5,2.018825331,,25.5,0.481086587
26,2.141703922,,26,1.551482353,,26,0.229758366,,26,2.033144088,,26,0.5432183
26.5,2.1944,,26.5,1.591545098,,26.5,0.231437933,,26.5,2.052831924,,26.5,0.595852524
27,2.212823529,,27,1.583513725,,27,0.232845621,,27,2.067742155,,27,0.642476902
27.5,2.234739216,,27.5,1.565470588,,27.5,0.233964036,,27.5,2.083541581,,27.5,0.682199667
28,2.251,,28,1.547578431,,28,0.234795984,,28,2.099649309,,28,0.714359835
28.5,2.263870588,,28.5,1.529786275,,28.5,0.235364579,,28.5,2.098253898,,28.5,0.67574069
29,2.286845098,,29,1.495452941,,29,0.235666589,,29,2.071017307,,29,0.690702749
29.5,2.310331373,,29.5,1.459484314,,29.5,0.235640358,,29.5,2.031206326,,29.5,0.686863178
30,2.325696078,,30,1.429141176,,30,0.235200961,,30,2.001643425,,30,0.756330623
30.5,2.344629412,,30.5,1.393343137,,30.5,0.234292021,,30.5,1.985167186,,30.5,0.803396562
31,2.350570588,,31,1.371715686,,31,0.232901431,,31,1.990260749,,31,0.755164548
31.5,2.364807843,,31.5,1.337484314,,31.5,0.231083132,,31.5,2.0142335,,31.5,0.773890166
32,2.389454902,,32,1.298217647,,32,0.228957506,,32,2.046427317,,32,0.753228004
32.5,2.407201961,,32.5,1.267058824,,32.5,0.226684625,,32.5,2.07358656,,32.5,0.781439884
33,2.42472549,,33,1.242778431,,33,0.224402701,,33,2.085494348,,33,0.795226969
33.5,2.433478431,,33.5,1.231513725,,33.5,0.222203434,,33.5,2.085442995,,33.5,0.745501395
34,2.469194118,,34,1.19522549,,34,0.22013287,,34,2.079673913,,34,0.734946276
34.5,2.506856863,,34.5,1.157056863,,34.5,0.218196729,,34.5,2.065877074,,34.5,0.783420782
35,2.518888235,,35,1.14975098,,35,0.216349236,,35,2.048891866,,35,0.739312304
35.5,2.559492157,,35.5,1.114486275,,35.5,0.214503479,,35.5,2.048686048,,35.5,0.71572108
36,2.552676471,,36,1.116992157,,36,0.212589142,,36,2.08016757,,36,0.683982799
36.5,2.577994118,,36.5,1.091029412,,36.5,0.210602397,,36.5,2.136941326,,36.5,0.699653675
37,2.563952941,,37,1.102005882,,37,0.208614617,,37,2.202804411,,37,0.735526563
37.5,2.568452941,,37.5,1.095721569,,37.5,0.206721349,,37.5,2.260286735,,37.5,0.689302883
38,2.564301961,,38,1.092139216,,38,0.204996522,,38,2.277930666,,38,0.772088813
38.5,2.53905098,,38.5,1.110962745,,38.5,0.20343923,,38.5,2.272513143,,38.5,0.713062306
39,2.561423529,,39,1.076662745,,39,0.201996229,,39,2.274825995,,39,0.799270709
39.5,2.587460784,,39.5,1.042980392,,39.5,0.200648731,,39.5,2.292968933,,39.5,0.753213554
40,2.581701961,,40,1.042119608,,40,0.199434783,,40,2.304405979,,40,0.826361651
40.5,2.524888235,,40.5,1.09577451,,40.5,0.19839703,,40.5,2.30074151,,40.5,0.804486216
41,2.496119608,,41,1.12192549,,41,0.197543947,,41,2.281349156,,41,0.777038314
41.5,2.501488235,,41.5,1.113786275,,41.5,0.196844934,,41.5,2.258895543,,41.5,0.803766914
42,2.467513725,,42,1.154980392,,42,0.196266374,,42,2.251186215,,42,0.83145712
42.5,2.406903922,,42.5,1.225680392,,42.5,0.195811894,,42.5,2.242134686,,42.5,0.894831227
43,2.402654902,,43,1.247435294,,43,0.195544362,,43,2.246965598,,43,0.856900195
43.5,2.385705882,,43.5,1.277231373,,43.5,0.195569984,,43.5,2.233450535,,43.5,0.826519858
44,2.408221569,,44,1.2681,,44,0.195938648,,44,2.185620719,,44,0.830809438
44.5,2.416862745,,44.5,1.271256863,,44.5,0.196577578,,44.5,2.110185269,,44.5,0.862291321
45,2.424984314,,45,1.274247059,,45,0.19729985,,45,2.044448801,,45,0.78113434
45.5,2.420303922,,45.5,1.287182353,,45.5,0.19792994,,45.5,2.018856217,,45.5,0.843925809
46,2.37987451,,46,1.332556863,,46,0.198407031,,46,2.037670977,,46,0.818627053
46.5,2.373905882,,46.5,1.341839216,,46.5,0.198785806,,46.5,2.07620576,,46.5,0.840656008
47,2.341723529,,47,1.376360784,,47,0.199160208,,47,2.118473957,,47,0.803643811
47.5,2.326996078,,47.5,1.387576471,,47.5,0.199639479,,47.5,2.156032384,,47.5,0.785022856
48,2.296068627,,48,1.411358824,,48,0.20027781,,48,2.183639001,,48,0.98372501
48.5,2.274623529,,48.5,1.429466667,,48.5,0.201058774,,48.5,2.197051042,,48.5,1
49,2.263796078,,49,1.439635294,,49,0.201962975,,49,2.190687444,,49,0.911103639
49.5,2.250076471,,49.5,1.453794118,,49.5,0.202947494,,49.5,2.19113671,,49.5,0.903187937
50,2.238396078,,50,1.470847059,,50,0.203938029,,50,2.208955604,,50,2.208955604
,,,,,,50.5,0.204870067,,50.5,2.19992295,,50.5,2.19992295
,,,,,,51,0.205664133,,51,2.187240412,,51,2.187240412
,,,,,,51.5,0.206245648,,51.5,2.171308177,,51.5,2.171308177
,,,,,,52,0.206566127,,52,2.160941478,,52,2.160941478
,,,,,,52.5,0.206633501,,52.5,2.168291794,,52.5,2.168291794
,,,,,,53,0.206534721,,53,2.178906139,,53,2.178906139
,,,,,,53.5,0.206399383,,53.5,2.184579397,,53.5,2.184579397
,,,,,,54,0.206335519,,54,2.160960288,,54,2.160960288
,,,,,,54.5,0.206368031,,54.5,2.103986623,,54.5,2.103986623
,,,,,,55,0.206422055,,55,2.034707365,,55,2.034707365
,,,,,,55.5,0.206381821,,55.5,1.977116276,,55.5,1.977116276
,,,,,,56,0.206153375,,56,1.959553171,,56,1.959553171
,,,,,,56.5,0.205744636,,56.5,1.968257981,,56.5,1.968257981
,,,,,,57,0.205196924,,57,1.998093982,,57,1.998093982
,,,,,,57.5,0.2045706,,57.5,2.035273417,,57.5,2.035273417
,,,,,,58,0.203940509,,58,2.075345521,,58,2.075345521
,,,,,,58.5,0.203390784,,58.5,2.117623084,,58.5,2.117623084
,,,,,,59,0.20299478,,59,2.13352415,,59,2.13352415
,,,,,,59.5,0.202752992,,59.5,2.124890383,,59.5,2.124890383
,,,,,,60,0.202555365,,60,2.110868506,,60,2.110868506
,,,,,,60.5,0.202268643,,60.5,2.116803567,,60.5,2.116803567
,,,,,,61,0.201843595,,61,2.140732126,,61,2.140732126
,,,,,,61.5,0.201322182,,61.5,2.176689086,,61.5,2.176689086
,,,,,,62,0.20077367,,62,2.211257622,,62,2.211257622
,,,,,,62.5,0.200257389,,62.5,2.241907319,,62.5,2.241907319
,,,,,,63,0.199811545,,63,2.299157825,,63,2.299157825
,,,,,,63.5,0.199527581,,63.5,2.360410493,,63.5,2.360410493
,,,,,,64,0.199488313,,64,2.396625646,,64,2.396625646
,,,,,,64.5,0.199712538,,64.5,2.416251942,,64.5,2.416251942
,,,,,,65,0.200114564,,65,2.396436908,,65,2.396436908
,,,,,,65.5,0.200643614,,65.5,2.371694019,,65.5,2.371694019
,,,,,,66,0.201228388,,66,2.352695099,,66,2.352695099
,,,,,,66.5,0.201857567,,66.5,2.353092053,,66.5,2.353092053
,,,,,,67,0.202594036,,67,2.356812263,,67,2.356812263
,,,,,,67.5,0.203531234,,67.5,2.353571412,,67.5,2.353571412
,,,,,,68,0.204733146,,68,2.343635021,,68,2.343635021
,,,,,,68.5,0.206236858,,68.5,2.335552436,,68.5,2.335552436
,,,,,,69,0.208061362,,69,2.317314017,,69,2.317314017
,,,,,,69.5,0.210182135,,69.5,2.29154315,,69.5,2.29154315
,,,,,,70,0.212524423,,70,2.259870748,,70,2.259870748
,,,,,,70.5,0.214962447,,70.5,2.220722862,,70.5,2.220722862
,,,,,,71,0.21735827,,71,2.189105693,,71,2.189105693
,,,,,,71.5,0.219597262,,71.5,2.175739539,,71.5,2.175739539
,,,,,,72,0.221607357,,72,2.17659456,,72,2.17659456
,,,,,,72.5,0.223357827,,72.5,2.193077636,,72.5,2.193077636
,,,,,,73,0.224868067,,73,2.229881699,,73,2.229881699
,,,,,,73.5,0.226184036,,73.5,2.268629028,,73.5,2.268629028
,,,,,,74,0.227367573,,74,2.298026659,,74,2.298026659
,,,,,,74.5,0.228468837,,74.5,2.31161631,,74.5,2.31161631
,,,,,,75,0.229516093,,75,2.304085474,,75,2.304085474
,,,,,,75.5,0.230505646,,75.5,2.288130142,,75.5,2.288130142
,,,,,,76,0.231432429,,76,2.276080067,,76,2.276080067
,,,,,,76.5,0.232310811,,76.5,2.276810248,,76.5,2.276810248
,,,,,,77,0.233165331,,77,2.278010187,,77,2.278010187
,,,,,,77.5,0.234018299,,77.5,2.27948517,,77.5,2.27948517
,,,,,,78,0.23487527,,78,2.286062623,,78,2.286062623
,,,,,,78.5,0.235731467,,78.5,2.29458239,,78.5,2.29458239
,,,,,,79,0.236577084,,79,2.323109229,,79,2.323109229
,,,,,,79.5,0.237448288,,79.5,2.323802504,,79.5,2.323802504
,,,,,,80,0.238314695,,80,2.308461724,,80,2.308461724
,,,,,,80.5,0.239153991,,80.5,2.274317123,,80.5,2.274317123
,,,,,,81,0.239907549,,81,2.233401647,,81,2.233401647
,,,,,,81.5,0.24048441,,81.5,2.192523172,,81.5,2.192523172
,,,,,,82,0.240808622,,82,2.187870311,,82,2.187870311
,,,,,,82.5,0.240852084,,82.5,2.211312744,,82.5,2.211312744
,,,,,,83,0.240631679,,83,2.252549567,,83,2.252549567
,,,,,,83.5,0.24019839,,83.5,2.307875674,,83.5,2.307875674
,,,,,,84,0.23963901,,84,2.351644131,,84,2.351644131
,,,,,,84.5,0.239036549,,84.5,2.381622721,,84.5,2.381622721
,,,,,,85,0.238442614,,85,2.388083616,,85,2.388083616
,,,,,,85.5,0.237887562,,85.5,2.379025409,,85.5,2.379025409
,,,,,,86,0.237363816,,86,2.360302754,,86,2.360302754
,,,,,,86.5,0.236830126,,86.5,2.339589283,,86.5,2.339589283
,,,,,,87,0.236248041,,87,2.330322983,,87,2.330322983
,,,,,,87.5,0.23561646,,87.5,2.337408044,,87.5,2.337408044
,,,,,,88,0.234971307,,88,2.354785989,,88,2.354785989
,,,,,,88.5,0.234358433,,88.5,2.375366671,,88.5,2.375366671
,,,,,,89,0.233817982,,89,2.396673089,,89,2.396673089
,,,,,,89.5,0.233376247,,89.5,2.404273568,,89.5,2.404273568
,,,,,,90,0.233028941,,90,2.395167579,,90,2.395167579
,,,,,,90.5,0.232728295,,90.5,2.36644875,,90.5,2.36644875
,,,,,,91,0.232390032,,91,2.333054584,,91,2.333054584
,,,,,,91.5,0.231926817,,91.5,2.310288223,,91.5,2.310288223
,,,,,,92,0.231286964,,92,2.306588479,,92,2.306588479
,,,,,,92.5,0.230476444,,92.5,2.326577477,,92.5,2.326577477
,,,,,,93,0.229561597,,93,2.365414255,,93,2.365414255
,,,,,,93.5,0.228664755,,93.5,2.409148504,,93.5,2.409148504
,,,,,,94,0.22792256,,94,2.438502411,,94,2.438502411
,,,,,,94.5,0.227445541,,94.5,2.445458831,,94.5,2.445458831
,,,,,,95,0.227269359,,95,2.43411821,,95,2.43411821
,,,,,,95.5,0.227358959,,95.5,2.414021504,,95.5,2.414021504
,,,,,,96,0.227635823,,96,2.38867404,,96,2.38867404
,,,,,,96.5,0.228009418,,96.5,2.369593357,,96.5,2.369593357
,,,,,,97,0.22841093,,97,2.365055072,,97,2.365055072
,,,,,,97.5,0.228817521,,97.5,2.378342138,,97.5,2.378342138
,,,,,,98,0.229244426,,98,2.400262987,,98,2.400262987
,,,,,,98.5,0.229715452,,98.5,2.425479665,,98.5,2.425479665
,,,,,,99,0.230233794,,99,2.423377527,,99,2.423377527
,,,,,,99.5,0.230769045,,99.5,2.429935538,,99.5,2.429935538
,,,,,,100,0.231269028,,100,2.413035689,,100,2.413035689