# Arbitrary reaction-progress parameter (first column) against energy relative to initial
# structure (in kJ/mol) along 10 elementary reaction-steps comprising a
# candidate ethene hydroformylation mechanism. Data is for Figure 5 of manuscript.
#
0.0 0.0
0.047904707567768046 0.39371997998572894
0.07797762991810497 2.0460258949920984
0.10632412169905356 5.369488814997538
0.1297938530130573 7.382039584999532
0.15551727056589115 82.28611056000116
0.18177693216081928 117.46796808998818
0.21237667966969942 121.42407148999175
0.2540403122687647 121.07196568499796
0.3042297218986852 121.1960205600019
0.36148644698817445 121.56655737499094
0.42328229396065004 121.36336992998756
0.4914224045331668 121.3597992499906
0.5607474413799942 121.14865654000059
0.633176160638335 120.70473700000281
0.7067298596107089 119.94641383499663
0.7784573821606393 117.08593158499906
0.851561239128972 99.69884663998863
0.925277674195794 63.34837906000081
1.0 59.124737209986186
1.0 59.124737209986186
1.0608500519623951 79.48441325499844
1.1241277303967367 98.72552127999026
1.1886204288423092 93.84324649999088
1.255363781568174 92.45553847499477
1.3252103144610015 94.96562149499053
1.3965349040218602 113.41409106999117
1.4670604627133368 91.40079635999452
1.5286864826947688 88.1075004349853
1.5802290015369542 86.7485153799965
1.6238464839809623 86.1770490499857
1.662849050225912 84.63532919498817
1.697855765788689 54.67545988999501
1.7338921936313691 -25.244707599997206
1.7731547887559267 -32.25263969001074
1.815058885327969 -38.06620557500044
1.8595606725884246 -43.23337336001032
1.9050445221074865 -46.630770360014154
1.9517893599553777 -48.866462375010194
2.0 -49.32897045499761
2.0 -49.32897045499761
2.0531859267908477 -49.14641944000407
2.105905051715589 -48.90679005500762
2.158433883768799 -48.65639611999732
2.2108526103462185 -48.48550232499822
2.263972825383742 -48.20945725501089
2.317066288748249 -48.072274880002794
2.368136379953348 -46.575424820005395
2.4145312294551413 7.1724984299927925
2.443148161076744 -8.571417340002384
2.476780422615697 -73.56094394000043
2.517697652008688 -84.01536988001322
2.5647456954737358 -86.92762699000396
2.6166971893591113 -85.9110071350052
2.6732300262711974 -87.56465205501043
2.7354315380165715 -87.63099843999665
2.8013362183580215 -88.0261361900064
2.8674788259770754 -88.22459773501052
2.933685885919809 -88.35744803501463
3.0 -88.42823151501352
3.0 -88.42823151501352
3.045732510884352 -88.34361165000777
3.092252387544103 -87.90402418501398
3.1401954367364335 -87.27710729500438
3.1882597547860385 -85.86377439001475
3.2377792548069286 -83.32635991501489
3.288821888807811 -76.71406441999642
3.3408423522449002 -27.457925334999242
3.391722303452352 52.755589269994076
3.4428921943531825 -69.68736000499669
3.4992265112031724 -88.12640403500099
3.555783248248299 -88.58234836500498
3.6112377011716097 -91.21086769000615
3.6660103008331903 -92.99555131501485
3.7198911898808955 -94.12383368499958
3.7745952995580847 -94.79997869999683
3.8306259290197655 -93.39347209501236
3.8867500220803635 -89.24042994000007
3.9432145001890255 -85.6003317200068
4.0 -119.71749649000972
4.0 -119.71749649000972
4.054218743270689 -119.73366957000471
4.108211130906616 -119.74826734999994
4.137811779741591 -119.75596006500216
4.179652268440162 -119.76588445500246
4.228246081165732 -119.7758876100093
4.280293012431738 -119.78704598499978
4.334065246793634 -119.7963665100061
4.388722778735072 -119.80755113999875
4.443660446274597 -119.81676664499638
4.498748479625607 -119.82466939999732
4.5544078978262 -119.83280844999916
4.61004282062744 -119.84005483000176
4.66570046797117 -119.84714368000998
4.7213586823380345 -119.85205336500579
4.777048588936327 -119.85730436501119
4.832753813882647 -119.86040245500635
4.888490417016814 -119.86287042500534
4.944227909941129 -119.8647607850125
5.0 -119.86578473000395
5.0 -119.86578473000395
5.055537043367877 -119.86906660501432
5.111296363563411 -119.8713507899981
5.166316971456958 -119.87216469500949
5.221419170391473 -119.87245350001473
5.277723578059263 -119.86888281999911
5.333268777733189 -119.86565345501175
5.388826386744109 -119.86168895000087
5.444373349187439 -119.85546651500837
5.499675244712965 -119.84769503499963
5.554973362875483 -119.83947722000994
5.611041167716652 -119.82905398500566
5.6665977134698355 -119.8180006300052
5.722158987921896 -119.80655345000949
5.777721913221493 -119.79368850000839
5.8332907284093345 -119.77783048000215
5.888854465142466 -119.76157863500066
5.944421279726938 -119.74443411999991
5.9722106398634685 -119.73655762000115
6.0 -119.72608187501118
6.0 -119.72608187501118
6.057335155709499 -119.70321377000325
6.113040476319674 -119.14828808999918
6.167112501214778 -118.21347881499759
6.220553487729566 -116.23274910499808
6.271653868198968 -101.75647724500814
6.319147815905405 92.96496424000253
6.366176069412055 -44.059696975008976
6.41587581602458 -89.70519595000641
6.465920636652096 -101.47539121501413
6.515482993164687 -108.63043006999877
6.565063850098199 -112.02724946001078
6.615453989882498 -113.98694891500517
6.667478266358071 -115.37712491000028
6.720855273767802 -116.30896736999892
6.775591698360664 -116.98605756499975
6.831300150268013 -117.34270548499624
6.88728477327123 -117.58501288000906
6.94330587846592 -117.78588988500782
7.0 -117.82805541500807
7.0 -117.82805541500807
7.077818331837945 -117.46867697500952
7.155391128965776 -115.64526722500533
7.232707968367447 -114.3807214050139
7.309934071722374 -112.54841121000085
7.386848415202192 -109.70628120501067
7.4633131090206595 -108.11286525500783
7.540706810198402 -106.43380549500782
7.618343094679693 -106.7597350649998
7.695878356007565 -108.00960434000811
7.771665140054403 -102.89292491999687
7.8369900070023375 -54.473690214997006
7.889467398887033 -67.43665013000799
7.925811086839667 -51.834931440006756
7.93853760970019 -46.94031681001242
7.950464439884947 -77.07433553001287
7.9604221147345005 -138.4733070950127
7.971853449686638 -194.09862037500415
7.981982927278124 -207.31971945001334
8.0 -214.5474584000062
8.0 -214.5474584000062
8.053562205055385 -174.36727899000687
8.105827334531083 -118.97513636499981
8.157969559371887 -133.28269359500305
8.209029930840353 -130.96758020500235
8.25754805028947 -132.04437651999916
8.303858871605541 -134.64068096000258
8.351309964627875 -135.86883735000526
8.400788856177217 -136.60074798500872
8.451992146167461 -137.40785294000293
8.50575232487159 -138.29829126500834
8.559553410517275 -139.22525029501332
8.614325304499832 -139.77308712500917
8.669653029589378 -140.3742478600144
8.725151436348453 -140.89420187999784
8.779963739969286 -141.3261753950146
8.834925494930548 -141.65753975000848
8.889934269142765 -141.90688348500652
8.9449433499118 -142.1617932799987
9.0 -142.23984939500238
9.0 -142.23984939500238
9.060668977738018 -141.89165558499647
9.116136111028467 -139.7169276800077
9.171010647319006 -135.79046617501285
9.220040080493028 -143.93376948500068
9.266312070784627 -144.24189816501223
9.309583563263399 -142.60030428999673
9.35194165523738 -122.53541938501178
9.393949973421094 -105.45536040999626
9.442371265986258 -111.73172317999727
9.49561336278123 -117.17569743000152
9.553114840423166 -131.44925443500853
9.612789545889033 -131.94597278000955
9.674123848279613 -132.78686792000127
9.733118783638892 -133.87957476500867
9.789097559731582 -136.06131275499914
9.842384895502327 -136.59959276500643
9.89481900092632 -146.846367910001
9.947147584256447 -186.60263408999757
10.0 -260.4340570400098