# 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 6 of manuscript.
#
0.0 0.0
0.017923812532655577 -0.017407065003808952
0.04278815361932007 -0.06587379500307478
0.07458535258379999 -0.019770015012767317
0.11267490098123167 -0.07317268501001806
0.15196717408837973 -0.05741968501247996
0.19388551583937033 -0.06104287501377925
0.23627358869206766 -0.08304456500598789
0.27984058827062946 -0.08509245500753337
0.331134149743681 -0.08790173999745576
0.3886411897062226 -0.08128548000968294
0.44871817886259624 -0.09454425500605623
0.5133280564148355 -0.10512502000471358
0.5802134340501641 -0.10362848501147681
0.6481096584538716 -0.1151544300137175
0.7177346387536497 -0.1195390150033937
0.7867359707571269 -0.1230046750103142
0.8576239786598817 -0.12316220500469299
0.9285119865626366 -0.11722857499878003
1.0 -0.12037917499828765
1.0 -0.12037917499828765
1.0577373483198986 -0.07905380501158632
1.1241643314443621 0.1152069399994069
1.1905913150854324 0.40876409499923483
1.2619724929266576 0.869985679992137
1.3325962574322874 1.5264919549874776
1.4011663433129604 2.0990347399940745
1.4704481202388835 2.8459894899923803
1.5378820843080392 3.765177039988643
1.5964999637109512 4.0264405450028455
1.6528310244614228 4.73348769500117
1.7031473632491654 5.349876329997805
1.745415389707062 6.71807689000287
1.7781029388044094 9.97566601498658
1.8045616065642713 11.85381743998688
1.831823974084768 32.25161574500064
1.8719564536784223 22.765132889988603
1.9128530092863754 22.44298403999231
1.9559571024746487 22.379368174989505
2.0 22.35791783998695
2.0 22.35791783998695
2.07449915614542 22.39396595500339
2.139455643836163 22.468792705001025
2.204412131526906 22.56139408999557
2.2579439826021463 22.64236450999784
2.298860719528052 22.682744699999613
2.3363652999214426 23.30304533000279
2.36834008038795 11.58144806998654
2.395921609752131 7.353762949991825
2.4244832056477192 6.086014019996558
2.456460581392733 4.867256919988037
2.495946458951301 3.6526743649891245
2.5467243110344846 2.8234626999940353
2.6066717186357145 2.054873829996623
2.6729600435847853 1.413044100003031
2.7436212526600547 0.8121459150008654
2.8113503689881045 0.34590962500346123
2.8760183374132655 0.004962195000157266
2.9406717878239714 -0.3587745750045599
3.0 -0.8363530250076536
3.0 -0.8363530250076536
3.055605413066054 -0.8348302350122445
3.1076528783128445 -0.8160054000030605
3.1596984200347404 -0.7909056199970337
3.2080171411901945 -0.8043219250064411
3.2525131789034303 -0.8131173500066211
3.2912634643207674 -0.7788545750073119
3.3357844619987618 -0.7475848700131316
3.3925179549010966 -0.6942084549993979
3.446093134573544 -0.6335068950138592
3.4999196947464335 -0.5934680200030158
3.553747205217052 -0.6002418100038227
3.607165066030266 -0.7201221399981463
3.6647846338599788 -0.7701904249993383
3.7242762270714973 -0.7974168600134277
3.780355410688399 -0.802904155001066
3.8347260659918283 -0.7905905600082761
3.889630668876585 -0.8203637300092197
3.944537475534897 -0.8290541350007103
4.0 -0.8245382750001724
4.0 -0.8245382750001724
4.0780319105491225 0.40330305499511354
4.155062333980025 5.056397939985839
4.2308802290262095 11.868546494992973
4.3059079295797265 41.01128143500159
4.371664332757849 38.704438369994904
4.43253125463628 18.845970275000706
4.489668300017974 30.466590805001022
4.541891186654332 103.81082597499862
4.587791778475345 137.51415943499345
4.626897997834403 135.247512774992
4.659060886787015 263.60405948500346
4.683389273083004 135.31157497499441
4.712340933194112 12.441220554991776
4.751765859282177 -85.0822680600119
4.798125549635725 -109.6020488550052
4.848445528616567 -115.05770658000606
4.8987989799072444 -117.75181089500506
4.949203252012524 -119.16010284000666
5.0 -119.59417675501065
5.0 -119.59417675501065
5.0718904974884635 -119.54770540500859
5.14341701664056 -118.71796864000736
5.214632578905675 -117.73716060500549
5.285681094825996 -116.20699295001236
5.356262180618777 -113.59798109000224
5.4254430945568695 -111.18459523500411
5.494347749007277 -110.10136644499742
5.561331776296583 -108.40826026001048
5.6251251865042935 -106.67986735501414
5.686987327362302 -105.47434277499983
5.745130478480156 -101.91298330001072
5.797254799926394 -101.95675038501291
5.844512154109473 -99.31573368000373
5.886656025467862 -64.90863494500229
5.905714196188258 -7.996170290014554
5.928977432450554 -147.88320411501215
5.952355899476703 -184.1567970550008
5.976013600525228 -192.35161267499734
6.0 -194.21162189500762
6.0 -194.21162189500762
6.028246186742474 -177.28394694000812
6.0559274849978175 -115.70460352500848
6.083272435834917 -1.4964037249977764
6.110431108270772 33.874332275002615
6.133663353395144 8.613136535003015
6.1546669384389485 -88.3368116050048
6.17967980015545 -147.33862290500585
6.210640083931012 -145.59489708000942
6.250322906775785 -142.20280358999665
6.29783583788419 -142.04359327001282
6.352331409414227 -142.19206529500363
6.41257497782671 -142.16557400001304
6.478260331760253 -142.17394934499714
6.554619659459745 -142.1929317100007
6.638918291488505 -142.2106538350119
6.7291586354162485 -142.27356081501202
6.819401301031325 -142.32428547501155
6.909698931409903 -142.35867952500308
7.0 -142.35823319000346
7.0 -142.35823319000346
7.061559964531736 -142.2904427800097
7.127625954882577 -142.0878854550025
7.193804325685469 -141.97057811499718
7.262686570164758 -141.76292731999763
7.3314595926391295 -141.44508429000314
7.395361842771656 -140.23228707500272
7.455982377871566 -132.12122490501483
7.518855617797842 -132.5618100599979
7.583165845020573 -134.65076287999727
7.648641669165885 -137.37135849000552
7.713283176650018 -138.59421136999848
7.76922520785624 -138.9681088250044
7.8163413693509325 -138.86001698999672
7.85425482165671 -138.7470154700119
7.886903906565032 -138.31328286999883
7.917283346352015 -142.45120214500977
7.946041084567472 -176.4548928050074
7.973828254596883 -249.19471162001022
8.0 -260.4946798350075
8.0 -260.4946798350075
8.083893526200086 -260.4946798350075
8.173962050526928 -260.49318330001427
8.27063295872868 -260.491030390004
8.354310695913462 -260.4955987600089
8.428845922663259 -260.4930520250034
8.501676101738783 -260.489061265009
8.579762957473305 -260.4861994700147
8.664830070803294 -260.47627508001443
8.745513345231318 -260.4777978700098
8.82700020942612 -260.4776140850133
8.888372359466837 -260.48302261501306
8.926401655450832 -260.4848867199994
8.951627259823953 -260.47858552000037
8.9679669320074 -260.47262563501096
8.978752002916918 -260.4703151950063
8.98573129903878 -260.46784722500735
8.98994917300273 -260.4647753900143
8.995980863917891 -260.47824420500945
9.0 -260.4509390050075
9.0 -260.4509390050075
9.045159815063712 -260.44870733000937
9.090319639201077 -260.44466406001067
9.137381282821783 -260.44172350000986
9.184517584457877 -260.4398593950049
9.234400653201378 -260.4360786750092
9.283856906389973 -260.4311952449969
9.336086240279146 -260.42778209501296
9.388142013337218 -260.42452647500477
9.442833927527538 -260.4205094600082
9.497651257747107 -260.4178839600148
9.555158681038582 -260.41462834000663
9.613020230852237 -260.4104800499992
9.67367488691824 -260.40525530501463
9.734562699567054 -260.40199968500644
9.799042617114408 -260.39740505999936
9.863373917302257 -260.3913138999991
9.89753206442896 -260.39049999500634
9.931690202482011 -260.3869293150094
10.0 -260.38243971001106