{"text_format":"3","workbook":"xlsx","n_sheets":8,"sheets":["README","Figure 3d","Figure 6a","Figure 7","Supplementary Fig. 5","Supplementary Fig. 6","Supplementary Fig. 7","Supplementary Fig. 9"],"read":"whole","date_system":"1900"}

{"sheet":"README","index":0,"n_rows":23,"n_cols":2,"rows_kept":23,"merged":[[0,0,0,3],[1,0,1,3]]}
["Source Data"]
["Numerical data underlying all graphs in the main manuscript and Supplementary Information."]
[]
["Article title","The role of shape and interaction directionality in the crystalline phase behaviour of octahedral metal-organic cages"]
["Data repository","https://doi.org/10.5522/04/29597369"]
[]
["Worksheet","Content"]
["Figure 3d","Relative dimer energies for all packing types and calculation conditions."]
["Figure 6a","Phase assignment for each independent coarse-grained simulation in the phase diagram."]
["Figure 7","Panel a RDF curves and panel b phase-averaged structural descriptor scores."]
["Supplementary Fig. 5","Individual simulation descriptor scores used for the phase-specific distributions."]
["Supplementary Fig. 6","Per-particle facet-overlap fractions used for the violin distributions."]
["Supplementary Fig. 7","Mean energy per particle at each temperature for the multiphase simulations."]
["Supplementary Fig. 9","Pore-size-distribution values from the Zeo++ histogram outputs."]
[]
["Phase ID","Phase name"]
[0,"Pink"]
[1,"Purple"]
[2,"Blue"]
[3,"Yellow"]
[4,"Light green"]
[5,"Green"]
[6,"Light blue"]

{"sheet":"Figure 3d","index":1,"n_rows":9,"n_cols":6,"rows_kept":9,"merged":[[0,0,0,5],[1,0,1,5]]}
["Figure 3d"]
["Relative energy of the lowest-energy dimer for each packing type under each solvent, constraint and optimisation condition. These values also underlie Supplementary Table 2."]
[]
["Packing type","Vacuum\nconst.\ncrude","Ethanol\nconst.\ncrude","Ethanol\nconst.\nnormal","Ethanol\nunconst.\nnormal","Vacuum\nunconst.\nnormal"]
["facet-to-facet",{"v":0,"d":"0.0"},{"v":0,"d":"0.0"},{"v":0,"d":"0.0"},{"v":0,"d":"0.0"},{"v":0,"d":"0.0"}]
["edge-to-edge",13.3,{"v":36,"d":"36.0"},64.8,{"v":77,"d":"77.0"},94.3]
["edge-to-facet",109.4,72.2,102.9,98.3,164.4]
["vertex-to-facet",113.2,98.6,129.7,194.9,227.4]
["vertex-to-vertex",179.1,107.2,139.7,195.5,298.9]

{"sheet":"Figure 6a","index":2,"n_rows":554,"n_cols":7,"rows_kept":554,"merged":[[0,0,0,6],[1,0,1,6]]}
["Figure 6a"]
["Phase assignment for each of the five independent simulations at every combination of truncation t and angular width sigma_ang."]
[]
["Truncation index","t","sigma_ang","Run","GSD file","Phase ID","Phase name"]
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[0,{"v":0,"d":"0.0"},0.1,2,"t_00/2/sigma_ang_0.10_J_84.gsd",2,"Blue"]
[0,{"v":0,"d":"0.0"},0.1,3,"t_00/3/sigma_ang_0.10_J_84.gsd",2,"Blue"]
[0,{"v":0,"d":"0.0"},0.1,4,"t_00/4/sigma_ang_0.10_J_84.gsd",2,"Blue"]
[0,{"v":0,"d":"0.0"},0.1,5,"t_00/5/sigma_ang_0.10_J_84.gsd",2,"Blue"]
[0,{"v":0,"d":"0.0"},0.2,1,"t_00/1/sigma_ang_0.20_J_65.gsd",2,"Blue"]
[0,{"v":0,"d":"0.0"},0.2,2,"t_00/2/sigma_ang_0.20_J_65.gsd",2,"Blue"]
[0,{"v":0,"d":"0.0"},0.2,3,"t_00/3/sigma_ang_0.20_J_65.gsd",2,"Blue"]
[0,{"v":0,"d":"0.0"},0.2,4,"t_00/4/sigma_ang_0.20_J_65.gsd",2,"Blue"]
[0,{"v":0,"d":"0.0"},0.2,5,"t_00/5/sigma_ang_0.20_J_65.gsd",2,"Blue"]
[0,{"v":0,"d":"0.0"},0.3,1,"t_00/1/sigma_ang_0.30_J_57.gsd",2,"Blue"]
[0,{"v":0,"d":"0.0"},0.3,2,"t_00/2/sigma_ang_0.30_J_57.gsd",2,"Blue"]
[0,{"v":0,"d":"0.0"},0.3,3,"t_00/3/sigma_ang_0.30_J_57.gsd",2,"Blue"]
[0,{"v":0,"d":"0.0"},0.3,4,"t_00/4/sigma_ang_0.30_J_57.gsd",2,"Blue"]
[0,{"v":0,"d":"0.0"},0.3,5,"t_00/5/sigma_ang_0.30_J_57.gsd",2,"Blue"]
[0,{"v":0,"d":"0.0"},0.4,1,"t_00/1/sigma_ang_0.40_J_50.gsd",5,"Green"]
[0,{"v":0,"d":"0.0"},0.4,2,"t_00/2/sigma_ang_0.40_J_50.gsd",5,"Green"]
[0,{"v":0,"d":"0.0"},0.4,3,"t_00/3/sigma_ang_0.40_J_50.gsd",5,"Green"]
[0,{"v":0,"d":"0.0"},0.4,4,"t_00/4/sigma_ang_0.40_J_50.gsd",5,"Green"]
[0,{"v":0,"d":"0.0"},0.4,5,"t_00/5/sigma_ang_0.40_J_50.gsd",5,"Green"]
[0,{"v":0,"d":"0.0"},0.5,1,"t_00/1/sigma_ang_0.50_J_43.gsd",5,"Green"]
[0,{"v":0,"d":"0.0"},0.5,2,"t_00/2/sigma_ang_0.50_J_43.gsd",5,"Green"]
[0,{"v":0,"d":"0.0"},0.5,3,"t_00/3/sigma_ang_0.50_J_43.gsd",5,"Green"]
[0,{"v":0,"d":"0.0"},0.5,4,"t_00/4/sigma_ang_0.50_J_43.gsd",5,"Green"]
[0,{"v":0,"d":"0.0"},0.5,5,"t_00/5/sigma_ang_0.50_J_43.gsd",5,"Green"]
[0,{"v":0,"d":"0.0"},0.6,1,"t_00/1/sigma_ang_0.60_J_37.gsd",4,"Light green"]
[0,{"v":0,"d":"0.0"},0.6,2,"t_00/2/sigma_ang_0.60_J_37.gsd",4,"Light green"]
[0,{"v":0,"d":"0.0"},0.6,3,"t_00/3/sigma_ang_0.60_J_37.gsd",4,"Light green"]
[0,{"v":0,"d":"0.0"},0.6,4,"t_00/4/sigma_ang_0.60_J_37.gsd",5,"Green"]
[0,{"v":0,"d":"0.0"},0.6,5,"t_00/5/sigma_ang_0.60_J_37.gsd",5,"Green"]
[0,{"v":0,"d":"0.0"},0.7,1,"t_00/1/sigma_ang_0.70_J_32.gsd",4,"Light green"]
[0,{"v":0,"d":"0.0"},0.7,2,"t_00/2/sigma_ang_0.70_J_32.gsd",4,"Light green"]
[0,{"v":0,"d":"0.0"},0.7,3,"t_00/3/sigma_ang_0.70_J_32.gsd",4,"Light green"]
[0,{"v":0,"d":"0.0"},0.7,4,"t_00/4/sigma_ang_0.70_J_32.gsd",4,"Light green"]
[0,{"v":0,"d":"0.0"},0.7,5,"t_00/5/sigma_ang_0.70_J_32.gsd",6,"Light blue"]
[0,{"v":0,"d":"0.0"},0.8,1,"t_00/1/sigma_ang_0.80_J_31.gsd",6,"Light blue"]
[0,{"v":0,"d":"0.0"},0.8,2,"t_00/2/sigma_ang_0.80_J_31.gsd",6,"Light blue"]
[0,{"v":0,"d":"0.0"},0.8,3,"t_00/3/sigma_ang_0.80_J_31.gsd",6,"Light blue"]
[0,{"v":0,"d":"0.0"},0.8,4,"t_00/4/sigma_ang_0.80_J_31.gsd",6,"Light blue"]
[0,{"v":0,"d":"0.0"},0.8,5,"t_00/5/sigma_ang_0.80_J_31.gsd",6,"Light blue"]
[0,{"v":0,"d":"0.0"},0.9,1,"t_00/1/sigma_ang_0.90_J_30.gsd",6,"Light blue"]
[0,{"v":0,"d":"0.0"},0.9,2,"t_00/2/sigma_ang_0.90_J_30.gsd",6,"Light blue"]
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[1,0.1,0.1,5,"t_01/5/sigma_ang_0.10_J_84.gsd",2,"Blue"]
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[1,0.1,0.3,4,"t_01/4/sigma_ang_0.30_J_57.gsd",2,"Blue"]
[1,0.1,0.3,5,"t_01/5/sigma_ang_0.30_J_57.gsd",2,"Blue"]
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[1,0.1,0.9,4,"t_01/4/sigma_ang_0.90_J_29.gsd",6,"Light blue"]
[1,0.1,0.9,5,"t_01/5/sigma_ang_0.90_J_29.gsd",6,"Light blue"]
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[10,{"v":1,"d":"1.0"},{"v":1,"d":"1.0"},5,"t_10/5/sigma_ang_1.00_J_14.gsd",3,"Yellow"]

{"sheet":"Figure 7","index":3,"n_rows":183,"n_cols":7,"rows_kept":183,"merged":[[0,0,0,6],[1,0,1,6]]}
["Figure 7"]
["Panel a contains the representative radial distribution function curves displayed from r = 0.5 to 0.9 angstrom. Panel b contains phase-averaged descriptor scores calculated using max_gap = 0.1 and max_angle = 10 degrees for the facet-contact fraction."]
[]
["Panel a: radial distribution functions"]
["Display slot","Phase ID","Phase name","r (angstrom)","g(r)","Representative GSD file","Number of phase files"]
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[1,3,"Yellow",{"v":0.5794999599456787,"d":"0.579500"},{"v":13.094797134399414,"d":"13.094797"},"t_10/2/sigma_ang_0.70_J_18.gsd",30]
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[6,4,"Light green",{"v":0.5605000257492065,"d":"0.560500"},{"v":1.7622535228729248,"d":"1.762254"},"t_01/1/sigma_ang_0.70_J_33.gsd",40]
[6,4,"Light green",{"v":0.5794999599456787,"d":"0.579500"},{"v":9.15351676940918,"d":"9.153517"},"t_01/1/sigma_ang_0.70_J_33.gsd",40]
[6,4,"Light green",{"v":0.5985000133514404,"d":"0.598500"},{"v":25.397863388061523,"d":"25.397863"},"t_01/1/sigma_ang_0.70_J_33.gsd",40]
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[7,5,"Green",{"v":0.5414999723434448,"d":"0.541500"},{"v":0.28709179162979126,"d":"0.287092"},"t_00/1/sigma_ang_0.40_J_50.gsd",35]
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[8,2,"Blue",{"v":0.6934999227523804,"d":"0.693500"},{"v":0.01158970408141613,"d":"0.011590"},"t_00/5/sigma_ang_0.20_J_65.gsd",70]
[8,2,"Blue",{"v":0.7124999761581421,"d":"0.712500"},{"v":2.7507194317877293E-3,"d":"0.002751"},"t_00/5/sigma_ang_0.20_J_65.gsd",70]
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[8,2,"Blue",{"v":0.8075000047683716,"d":"0.807500"},{"v":0.2607850134372711,"d":"0.260785"},"t_00/5/sigma_ang_0.20_J_65.gsd",70]
[8,2,"Blue",{"v":0.8264999389648438,"d":"0.826500"},{"v":0.16504734754562378,"d":"0.165047"},"t_00/5/sigma_ang_0.20_J_65.gsd",70]
[8,2,"Blue",{"v":0.8454999923706055,"d":"0.845500"},{"v":0.07448488473892212,"d":"0.074485"},"t_00/5/sigma_ang_0.20_J_65.gsd",70]
[8,2,"Blue",{"v":0.8644999265670776,"d":"0.864500"},{"v":0.03315739706158638,"d":"0.033157"},"t_00/5/sigma_ang_0.20_J_65.gsd",70]
[8,2,"Blue",{"v":0.8834999799728394,"d":"0.883500"},{"v":0.10471417009830475,"d":"0.104714"},"t_00/5/sigma_ang_0.20_J_65.gsd",70]
[]
["Panel b: phase-averaged structural descriptor scores"]
["Phase ID","Phase name","Interparticle-distance score","Facet-contact fraction","Coordination-number score","Number of simulation files"]
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[2,"Blue",{"v":0.9318840579710143,"d":"0.931884"},{"v":0.655658295919865,"d":"0.655658"},{"v":0.08765096898517712,"d":"0.087651"},69]
[3,"Yellow",{"v":0.5677419354838709,"d":"0.567742"},{"v":0.3710190938517565,"d":"0.371019"},{"v":0.6647256385156263,"d":"0.664726"},31]
[4,"Light green",{"v":0.6749999999999996,"d":"0.675000"},{"v":0.3835774695310631,"d":"0.383577"},{"v":0.4325931207920831,"d":"0.432593"},40]
[5,"Green",{"v":0.7947368421052632,"d":"0.794737"},{"v":0.46311766816551486,"d":"0.463118"},{"v":0.27447823826580275,"d":"0.274478"},38]
[6,"Light blue",{"v":0.36071428571428604,"d":"0.360714"},{"v":0.6008754390186576,"d":"0.600875"},{"v":0.6353631713082658,"d":"0.635363"},84]

{"sheet":"Supplementary Fig. 5","index":4,"n_rows":554,"n_cols":10,"rows_kept":554,"merged":[[0,0,0,8],[1,0,1,8]]}
["Supplementary Figure 5"]
["Individual simulation scores underlying the phase-specific descriptor distributions, with facet-contact fractions calculated using max_gap = 0.1 and max_angle = 10 degrees. Points, percentiles, interquartile ranges and phase means are calculated from these values."]
[]
["Truncation index","t","sigma_ang","Run","GSD file","Phase ID","Phase name","Interparticle-distance score","Facet-contact fraction","Coordination-number score"]
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[0,{"v":0,"d":"0.0"},0.1,3,"t_00/3/sigma_ang_0.10_J_84.gsd",2,"Blue",{"v":1,"d":"1.000000"},{"v":0.6649464079907141,"d":"0.664946"},{"v":0.01868292264102345,"d":"0.018683"}]
[0,{"v":0,"d":"0.0"},0.1,4,"t_00/4/sigma_ang_0.10_J_84.gsd",2,"Blue",{"v":1,"d":"1.000000"},{"v":0.6652358959127075,"d":"0.665236"},{"v":0.022341718190911585,"d":"0.022342"}]
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[0,{"v":0,"d":"0.0"},0.2,1,"t_00/1/sigma_ang_0.20_J_65.gsd",2,"Blue",{"v":0.8999999999999995,"d":"0.900000"},{"v":0.6588325801313657,"d":"0.658833"},{"v":0.10603588907014681,"d":"0.106036"}]
[0,{"v":0,"d":"0.0"},0.2,2,"t_00/2/sigma_ang_0.20_J_65.gsd",2,"Blue",{"v":0.8999999999999995,"d":"0.900000"},{"v":0.6579902656480322,"d":"0.657990"},{"v":0.12071778140293637,"d":"0.120718"}]
[0,{"v":0,"d":"0.0"},0.2,3,"t_00/3/sigma_ang_0.20_J_65.gsd",2,"Blue",{"v":0.8999999999999995,"d":"0.900000"},{"v":0.6586789843301152,"d":"0.658679"},{"v":0.09135399673735727,"d":"0.091354"}]
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[0,{"v":0,"d":"0.0"},0.4,4,"t_00/4/sigma_ang_0.40_J_50.gsd",5,"Green",{"v":0.8,"d":"0.800000"},{"v":0.47514355241582007,"d":"0.475144"},{"v":0.2679445350734095,"d":"0.267945"}]
[0,{"v":0,"d":"0.0"},0.4,5,"t_00/5/sigma_ang_0.40_J_50.gsd",5,"Green",{"v":0.8,"d":"0.800000"},{"v":0.4776455175730384,"d":"0.477646"},{"v":0.24509157382018446,"d":"0.245092"}]
[0,{"v":0,"d":"0.0"},0.5,1,"t_00/1/sigma_ang_0.50_J_43.gsd",5,"Green",{"v":0.8,"d":"0.800000"},{"v":0.4512526820899446,"d":"0.451253"},{"v":0.28711256117455136,"d":"0.287113"}]
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[10,{"v":1,"d":"1.0"},0.2,1,"t_10/1/sigma_ang_0.20_J_41.gsd",1,"Purple",{"v":0.8,"d":"0.800000"},{"v":0.6579581502085874,"d":"0.657958"},{"v":0.8491027732463295,"d":"0.849103"}]
[10,{"v":1,"d":"1.0"},0.2,2,"t_10/2/sigma_ang_0.20_J_41.gsd",1,"Purple",{"v":0.8,"d":"0.800000"},{"v":0.6584547353546657,"d":"0.658455"},{"v":0.9327079934747146,"d":"0.932708"}]
[10,{"v":1,"d":"1.0"},0.2,3,"t_10/3/sigma_ang_0.20_J_41.gsd",1,"Purple",{"v":0.8,"d":"0.800000"},{"v":0.6587618055520524,"d":"0.658762"},{"v":0.9257748776508973,"d":"0.925775"}]
[10,{"v":1,"d":"1.0"},0.2,4,"t_10/4/sigma_ang_0.20_J_41.gsd",1,"Purple",{"v":0.8,"d":"0.800000"},{"v":0.6572889455517784,"d":"0.657289"},{"v":0.9559543230016313,"d":"0.955954"}]
[10,{"v":1,"d":"1.0"},0.2,5,"t_10/5/sigma_ang_0.20_J_41.gsd",1,"Purple",{"v":0.8,"d":"0.800000"},{"v":0.6581490726850564,"d":"0.658149"},{"v":0.9451575933061553,"d":"0.945158"}]
[10,{"v":1,"d":"1.0"},0.3,1,"t_10/1/sigma_ang_0.30_J_33.gsd",1,"Purple",{"v":0.8,"d":"0.800000"},{"v":0.6480037424758244,"d":"0.648004"},{"v":0.7210440456769984,"d":"0.721044"}]
[10,{"v":1,"d":"1.0"},0.3,2,"t_10/2/sigma_ang_0.30_J_33.gsd",1,"Purple",{"v":0.6999999999999994,"d":"0.700000"},{"v":0.6485658759533113,"d":"0.648566"},{"v":0.9571778140293637,"d":"0.957178"}]
[10,{"v":1,"d":"1.0"},0.3,3,"t_10/3/sigma_ang_0.30_J_33.gsd",1,"Purple",{"v":0.6999999999999994,"d":"0.700000"},{"v":0.6486155216422953,"d":"0.648616"},{"v":0.8564437194127243,"d":"0.856444"}]
[10,{"v":1,"d":"1.0"},0.3,4,"t_10/4/sigma_ang_0.30_J_33.gsd",1,"Purple",{"v":0.6999999999999994,"d":"0.700000"},{"v":0.6485679517066092,"d":"0.648568"},{"v":0.9592169657422512,"d":"0.959217"}]
[10,{"v":1,"d":"1.0"},0.3,5,"t_10/5/sigma_ang_0.30_J_33.gsd",1,"Purple",{"v":0.6999999999999994,"d":"0.700000"},{"v":0.6458500522482554,"d":"0.645850"},{"v":0.9335236541598695,"d":"0.933524"}]
[10,{"v":1,"d":"1.0"},0.4,1,"t_10/1/sigma_ang_0.40_J_30.gsd",1,"Purple",{"v":0.6999999999999994,"d":"0.700000"},{"v":0.631697868160175,"d":"0.631698"},{"v":0.7287928221859706,"d":"0.728793"}]
[10,{"v":1,"d":"1.0"},0.4,2,"t_10/2/sigma_ang_0.40_J_30.gsd",1,"Purple",{"v":0.6999999999999994,"d":"0.700000"},{"v":0.6349054537400124,"d":"0.634905"},{"v":0.8752821292095913,"d":"0.875282"}]
[10,{"v":1,"d":"1.0"},0.4,3,"t_10/3/sigma_ang_0.40_J_30.gsd",1,"Purple",{"v":0.6999999999999994,"d":"0.700000"},{"v":0.6347977777600778,"d":"0.634798"},{"v":0.7891517128874388,"d":"0.789152"}]
[10,{"v":1,"d":"1.0"},0.4,4,"t_10/4/sigma_ang_0.40_J_30.gsd",1,"Purple",{"v":0.6999999999999994,"d":"0.700000"},{"v":0.6351727579399956,"d":"0.635173"},{"v":0.9119086460032626,"d":"0.911909"}]
[10,{"v":1,"d":"1.0"},0.4,5,"t_10/5/sigma_ang_0.40_J_30.gsd",1,"Purple",{"v":0.6999999999999994,"d":"0.700000"},{"v":0.6370437381869912,"d":"0.637044"},{"v":0.8964110929853181,"d":"0.896411"}]
[10,{"v":1,"d":"1.0"},0.5,1,"t_10/1/sigma_ang_0.50_J_26.gsd",1,"Purple",{"v":0.6999999999999994,"d":"0.700000"},{"v":0.6094494074606647,"d":"0.609449"},{"v":0.7759854170723688,"d":"0.775985"}]
[10,{"v":1,"d":"1.0"},0.5,2,"t_10/2/sigma_ang_0.50_J_26.gsd",1,"Purple",{"v":0.6999999999999994,"d":"0.700000"},{"v":0.6072397470595682,"d":"0.607240"},{"v":0.8931484502446982,"d":"0.893148"}]
[10,{"v":1,"d":"1.0"},0.5,3,"t_10/3/sigma_ang_0.50_J_26.gsd",1,"Purple",{"v":0.6999999999999994,"d":"0.700000"},{"v":0.6089906713506531,"d":"0.608991"},{"v":0.9300383408408169,"d":"0.930038"}]
[10,{"v":1,"d":"1.0"},0.5,4,"t_10/4/sigma_ang_0.50_J_26.gsd",1,"Purple",{"v":0.6999999999999994,"d":"0.700000"},{"v":0.6083890665721926,"d":"0.608389"},{"v":0.9008739908402427,"d":"0.900874"}]
[10,{"v":1,"d":"1.0"},0.5,5,"t_10/5/sigma_ang_0.50_J_26.gsd",1,"Purple",{"v":0.6999999999999994,"d":"0.700000"},{"v":0.6141131341032199,"d":"0.614113"},{"v":0.8291071149235577,"d":"0.829107"}]
[10,{"v":1,"d":"1.0"},0.6,1,"t_10/1/sigma_ang_0.60_J_22.gsd",1,"Purple",{"v":0.6999999999999994,"d":"0.700000"},{"v":0.56895529322565,"d":"0.568955"},{"v":0.9438006538284058,"d":"0.943801"}]
[10,{"v":1,"d":"1.0"},0.6,2,"t_10/2/sigma_ang_0.60_J_22.gsd",1,"Purple",{"v":0.6999999999999994,"d":"0.700000"},{"v":0.5701708690363053,"d":"0.570171"},{"v":0.9231344582787947,"d":"0.923134"}]
[10,{"v":1,"d":"1.0"},0.6,3,"t_10/3/sigma_ang_0.60_J_22.gsd",1,"Purple",{"v":0.6999999999999994,"d":"0.700000"},{"v":0.5551048045673673,"d":"0.555105"},{"v":0.7560474483333497,"d":"0.756047"}]
[10,{"v":1,"d":"1.0"},0.6,4,"t_10/4/sigma_ang_0.60_J_22.gsd",1,"Purple",{"v":0.6999999999999994,"d":"0.700000"},{"v":0.5616867843386134,"d":"0.561687"},{"v":0.7759298049171309,"d":"0.775930"}]
[10,{"v":1,"d":"1.0"},0.6,5,"t_10/5/sigma_ang_0.60_J_22.gsd",1,"Purple",{"v":0.6999999999999994,"d":"0.700000"},{"v":0.5644644248114532,"d":"0.564464"},{"v":0.8562410108400822,"d":"0.856241"}]
[10,{"v":1,"d":"1.0"},0.7,1,"t_10/1/sigma_ang_0.70_J_18.gsd",3,"Yellow",{"v":0.6,"d":"0.600000"},{"v":0.4229404122773177,"d":"0.422940"},{"v":0.7496377655963443,"d":"0.749638"}]
[10,{"v":1,"d":"1.0"},0.7,2,"t_10/2/sigma_ang_0.70_J_18.gsd",3,"Yellow",{"v":0.6,"d":"0.600000"},{"v":0.32233751568457236,"d":"0.322338"},{"v":0.7907434557856843,"d":"0.790743"}]
[10,{"v":1,"d":"1.0"},0.7,3,"t_10/3/sigma_ang_0.70_J_18.gsd",3,"Yellow",{"v":0.6,"d":"0.600000"},{"v":0.3686408371169123,"d":"0.368641"},{"v":0.7398545908605724,"d":"0.739855"}]
[10,{"v":1,"d":"1.0"},0.7,4,"t_10/4/sigma_ang_0.70_J_18.gsd",3,"Yellow",{"v":0.6,"d":"0.600000"},{"v":0.3499221534507235,"d":"0.349922"},{"v":0.7778996068782927,"d":"0.777900"}]
[10,{"v":1,"d":"1.0"},0.7,5,"t_10/5/sigma_ang_0.70_J_18.gsd",3,"Yellow",{"v":0.6,"d":"0.600000"},{"v":0.37170656846715355,"d":"0.371707"},{"v":0.6641588310761696,"d":"0.664159"}]
[10,{"v":1,"d":"1.0"},0.8,1,"t_10/1/sigma_ang_0.80_J_16.gsd",3,"Yellow",{"v":0.6,"d":"0.600000"},{"v":0.3841940572371345,"d":"0.384194"},{"v":0.6608745344421446,"d":"0.660875"}]
[10,{"v":1,"d":"1.0"},0.8,2,"t_10/2/sigma_ang_0.80_J_16.gsd",3,"Yellow",{"v":0.6,"d":"0.600000"},{"v":0.3168697217730278,"d":"0.316870"},{"v":0.5987017118720935,"d":"0.598702"}]
[10,{"v":1,"d":"1.0"},0.8,3,"t_10/3/sigma_ang_0.80_J_16.gsd",3,"Yellow",{"v":0.6,"d":"0.600000"},{"v":0.37010552273457303,"d":"0.370106"},{"v":0.7371266359847111,"d":"0.737127"}]
[10,{"v":1,"d":"1.0"},0.8,4,"t_10/4/sigma_ang_0.80_J_16.gsd",3,"Yellow",{"v":0.6,"d":"0.600000"},{"v":0.33731082616739466,"d":"0.337311"},{"v":0.6323812308336351,"d":"0.632381"}]
[10,{"v":1,"d":"1.0"},0.8,5,"t_10/5/sigma_ang_0.80_J_16.gsd",3,"Yellow",{"v":0.5,"d":"0.500000"},{"v":0.2302856831371476,"d":"0.230286"},{"v":0.2950835685887605,"d":"0.295084"}]
[10,{"v":1,"d":"1.0"},0.9,1,"t_10/1/sigma_ang_0.90_J_15.gsd",3,"Yellow",{"v":0.6,"d":"0.600000"},{"v":0.2963639925267753,"d":"0.296364"},{"v":0.7020163132137032,"d":"0.702016"}]
[10,{"v":1,"d":"1.0"},0.9,2,"t_10/2/sigma_ang_0.90_J_15.gsd",3,"Yellow",{"v":0.6,"d":"0.600000"},{"v":0.3325443312623647,"d":"0.332544"},{"v":0.7180690908734272,"d":"0.718069"}]
[10,{"v":1,"d":"1.0"},0.9,3,"t_10/3/sigma_ang_0.90_J_15.gsd",3,"Yellow",{"v":0.6,"d":"0.600000"},{"v":0.3367314575014597,"d":"0.336731"},{"v":0.6159027521970215,"d":"0.615903"}]
[10,{"v":1,"d":"1.0"},0.9,4,"t_10/4/sigma_ang_0.90_J_15.gsd",3,"Yellow",{"v":0.6,"d":"0.600000"},{"v":0.38553374480617875,"d":"0.385534"},{"v":0.6900522756766314,"d":"0.690052"}]
[10,{"v":1,"d":"1.0"},0.9,5,"t_10/5/sigma_ang_0.90_J_15.gsd",3,"Yellow",{"v":0.4,"d":"0.400000"},{"v":0.3881633405989289,"d":"0.388163"},{"v":0.07063968623095346,"d":"0.070640"}]
[10,{"v":1,"d":"1.0"},{"v":1,"d":"1.0"},1,"t_10/1/sigma_ang_1.00_J_14.gsd",3,"Yellow",{"v":0.6,"d":"0.600000"},{"v":0.39608579098801916,"d":"0.396086"},{"v":0.7515420824200937,"d":"0.751542"}]
[10,{"v":1,"d":"1.0"},{"v":1,"d":"1.0"},2,"t_10/2/sigma_ang_1.00_J_14.gsd",3,"Yellow",{"v":0.6,"d":"0.600000"},{"v":0.3453728844377742,"d":"0.345373"},{"v":0.7633653727951414,"d":"0.763365"}]
[10,{"v":1,"d":"1.0"},{"v":1,"d":"1.0"},3,"t_10/3/sigma_ang_1.00_J_14.gsd",3,"Yellow",{"v":0.6,"d":"0.600000"},{"v":0.35943929582561207,"d":"0.359439"},{"v":0.7456261434109808,"d":"0.745626"}]
[10,{"v":1,"d":"1.0"},{"v":1,"d":"1.0"},4,"t_10/4/sigma_ang_1.00_J_14.gsd",3,"Yellow",{"v":0.6,"d":"0.600000"},{"v":0.3487779064594088,"d":"0.348778"},{"v":0.7999327290156573,"d":"0.799933"}]
[10,{"v":1,"d":"1.0"},{"v":1,"d":"1.0"},5,"t_10/5/sigma_ang_1.00_J_14.gsd",3,"Yellow",{"v":0.6,"d":"0.600000"},{"v":0.3287065846613505,"d":"0.328707"},{"v":0.6497225430083154,"d":"0.649723"}]

{"sheet":"Supplementary Fig. 6","index":5,"n_rows":263656,"n_cols":6,"rows_kept":4500,"cut":true,"merged":[[0,0,0,5],[1,0,1,5]],"bounds":{"rows_first":2000,"rows_last":500,"rows_between":2000,"halvings":0}}
["Supplementary Figure 6"]
["Per-particle mean facet-overlap fractions underlying the violin distributions, calculated using max_gap = 0.1 and max_angle = 10 degrees. Values are pooled across the five runs for each t and sigma_ang combination; violin colours follow the majority phase for that combination."]
[]
["t","sigma_ang","Run","Majority phase ID","Particle observation","Facet-overlap fraction"]
[0,0.1,1,2,1,0.665647770030131]
[0,0.1,1,2,2,0.665586464123319]
[0,0.1,1,2,3,0.6660905237852497]
[0,0.1,1,2,4,0.6666894198846105]
[0,0.1,1,2,5,0.6663605578975382]
[0,0.1,1,2,6,0.6661870405249343]
[0,0.1,1,2,7,0.6628321718027845]
[0,0.1,1,2,8,0.6668282508122563]
[0,0.1,1,2,9,0.6658074171330307]
[0,0.1,1,2,10,0.6657103566876114]
[0,0.1,1,2,11,0.6662766467870669]
[0,0.1,1,2,12,0.6665766140733381]
[0,0.1,1,2,13,0.6649467219527665]
[0,0.1,1,2,14,0.6650553212406624]
[0,0.1,1,2,15,0.6655546430286168]
[0,0.1,1,2,16,0.6652398362721291]
[0,0.1,1,2,17,0.6660257295517834]
[0,0.1,1,2,18,0.6659436615234534]
[0,0.1,1,2,19,0.6664074158007594]
[0,0.1,1,2,20,0.6660908394125885]
[0,0.1,1,2,21,0.6663276311969621]
[0,0.1,1,2,22,0.6653325835865929]
[0,0.1,1,2,23,0.6674661251879156]
[0,0.1,1,2,24,0.6660975033546815]
[0,0.1,1,2,25,0.6656912640255619]
[0,0.1,1,2,26,0.6657811696395455]
[0,0.1,1,2,27,0.6644301859964797]
[0,0.1,1,2,28,0.6650817596240083]
[0,0.1,1,2,29,0.6660700853093589]
[0,0.1,1,2,30,0.6662636375059284]
[0,0.1,1,2,31,0.6646714020050218]
[0,0.1,1,2,32,0.665514988376326]
[0,0.1,1,2,33,0.6659061616173457]
[0,0.1,1,2,34,0.6657708943412111]
[0,0.1,1,2,35,0.665757201025295]
[0,0.1,1,2,36,0.665443779091218]
[0,0.1,1,2,37,0.6661349373764432]
[0,0.1,1,2,38,0.6652491713525119]
[0,0.1,1,2,39,0.6642619844381876]
[0,0.1,1,2,40,0.6663763787615948]
[0,0.1,1,2,41,0.6654366514681157]
[0,0.1,1,2,42,0.6647252980923481]
[0,0.1,1,2,43,0.6666457365866801]
[0,0.1,1,2,44,0.6659083385312867]
[0,0.1,1,2,45,0.6656856020392707]
[0,0.1,1,2,46,0.6665863812793155]
[0,0.1,1,2,47,0.6653242355820836]
[0,0.1,1,2,48,0.6638385743233487]
[0,0.1,1,2,49,0.6642374935959233]
[0,0.1,1,2,50,0.6653968991643632]
[0,0.1,1,2,51,0.665958328736037]
[0,0.1,1,2,52,0.6640607667103299]
[0,0.1,1,2,53,0.6660775623170079]
[0,0.1,1,2,54,0.665608372196185]
[0,0.1,1,2,55,0.6655836781874193]
[0,0.1,1,2,56,0.6587021310887476]
[0,0.1,1,2,57,0.6661783784888966]
[0,0.1,1,2,58,0.6642241626441431]
[0,0.1,1,2,59,0.6649377650187914]
[0,0.1,1,2,60,0.6658890731044494]
[0,0.1,1,2,61,0.6644244227862052]
[0,0.1,1,2,62,0.659107705458599]
[0,0.1,1,2,63,0.6661152213036874]
[0,0.1,1,2,64,0.6663266658880084]
[0,0.1,1,2,65,0.663994540432027]
[0,0.1,1,2,66,0.6646305505127349]
[0,0.1,1,2,67,0.664395244831179]
[0,0.1,1,2,68,0.6634775005949699]
[0,0.1,1,2,69,0.6655305778691577]
[0,0.1,1,2,70,0.6647252980923481]
[0,0.1,1,2,71,0.666275564786299]
[0,0.1,1,2,72,0.663939889346881]
[0,0.1,1,2,73,0.6659427628718059]
[0,0.1,1,2,74,0.6651916714900181]
[0,0.1,1,2,75,0.6656797972812648]
[0,0.1,1,2,76,0.6655237218569728]
[0,0.1,1,2,77,0.6648096510521396]
[0,0.1,1,2,78,0.6660800660419142]
[0,0.1,1,2,79,0.6661734923896322]
[0,0.1,1,2,80,0.6664745116147358]
[0,0.1,1,2,81,0.6657714133444154]
[0,0.1,1,2,82,0.6619979548718612]
[0,0.1,1,2,83,0.6655626815823913]
[0,0.1,1,2,84,0.6663857982311002]
[0,0.1,1,2,85,0.6656922744927407]
[0,0.1,1,2,86,0.6652071523092118]
[0,0.1,1,2,87,0.6647343276631696]
[0,0.1,1,2,88,0.6666514563870918]
[0,0.1,1,2,89,0.6659183165801258]
[0,0.1,1,2,90,0.6664328190107065]
[0,0.1,1,2,91,0.664775203044078]
[0,0.1,1,2,92,0.6651946150314979]
[0,0.1,1,2,93,0.6657974539005346]
[0,0.1,1,2,94,0.6650568905599571]
[0,0.1,1,2,95,0.6654296961877879]
[0,0.1,1,2,96,0.6661375412781588]
[0,0.1,1,2,97,0.6660506963740923]
[0,0.1,1,2,98,0.6648661277550689]
[0,0.1,1,2,99,0.6661922509825451]
[0,0.1,1,2,100,0.6637076942586332]
[0,0.1,1,2,101,0.6660114131028978]
[0,0.1,1,2,102,0.6654747219601362]
[0,0.1,1,2,103,0.6659730114504151]
[0,0.1,1,2,104,0.6629782685743577]
[0,0.1,1,2,105,0.6558840336849816]
[0,0.1,1,2,106,0.6632723070009351]
[0,0.1,1,2,107,0.6646729542223535]
[0,0.1,1,2,108,0.6641242128552459]
[0,0.1,1,2,109,0.6604836175703289]
[0,0.1,1,2,110,0.6656073482334489]
[0,0.1,1,2,111,0.6650143574385119]
[0,0.1,1,2,112,0.6659461868140957]
[0,0.1,1,2,113,0.665899710418393]
[0,0.1,1,2,114,0.6654170689789878]
[0,0.1,1,2,115,0.665178984085758]
[0,0.1,1,2,116,0.6666374332444261]
[0,0.1,1,2,117,0.6665453227564887]
[0,0.1,1,2,118,0.6636179008566426]
[0,0.1,1,2,119,0.6655196567199446]
[0,0.1,1,2,120,0.6663500566681093]
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[1,1,5,3,78,0.2120788129803889]
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[1,1,5,3,83,0.6559366585297984]
[1,1,5,3,84,0.46788693988416724]
[1,1,5,3,85,0.2827235075010786]
[1,1,5,3,86,0.22530105615066098]
[1,1,5,3,87,0.39117622642207]
[1,1,5,3,88,0.41912316713937914]
[1,1,5,3,89,0.2697300730414911]
[1,1,5,3,90,1.3539549326243692E-5]
[1,1,5,3,91,0.2842136927585147]
[1,1,5,3,92,0.25328770097370423]
[1,1,5,3,93,0.042811055981658484]
[1,1,5,3,94,0.5565201724256928]
[1,1,5,3,95,0.4518099357897634]
[1,1,5,3,96,0.6572125172160674]
[1,1,5,3,97,0.3997141588967842]
[1,1,5,3,98,0.3869179034461012]
[1,1,5,3,99,0.535070473268499]

{"sheet":"Supplementary Fig. 7","index":6,"n_rows":636,"n_cols":9,"rows_kept":636,"merged":[[0,0,0,9],[1,0,1,9]]}
["Supplementary Figure 7"]
["Mean interaction energy per particle at each kBT for simulations that produced more than one phase. Standard deviations are included although the plotted points show the means."]
[]
["t","sigma_ang","Run","kBT","Mean energy per particle (kJ mol-1)","Standard deviation (kJ mol-1)","Log file","Phase ID","Phase name"]
[0.5,{"v":1,"d":"1.0"},4,{"v":0.7289457583,"d":"0.728946"},{"v":-20.891672099780703,"d":"-20.891672"},{"v":0.1773315343889021,"d":"0.177332"},"phase_2.00_1.00_1.00_0.50_24_0_temp_4.log",1,"Purple"]
[0.5,{"v":1,"d":"1.0"},4,{"v":0.7673113245,"d":"0.767311"},{"v":-18.231177012499053,"d":"-18.231177"},{"v":1.4785729979866815,"d":"1.478573"},"phase_2.00_1.00_1.00_0.50_24_0_temp_4.log",1,"Purple"]
[0.5,{"v":1,"d":"1.0"},4,{"v":0.807696131,"d":"0.807696"},{"v":-12.620582406979807,"d":"-12.620582"},{"v":1.3914080041943582,"d":"1.391408"},"phase_2.00_1.00_1.00_0.50_24_0_temp_4.log",1,"Purple"]
[0.5,{"v":1,"d":"1.0"},4,{"v":0.8502064537,"d":"0.850206"},{"v":-8.913559966463266,"d":"-8.913560"},{"v":0.21673462321317258,"d":"0.216735"},"phase_2.00_1.00_1.00_0.50_24_0_temp_4.log",1,"Purple"]
[0.5,{"v":1,"d":"1.0"},4,{"v":0.8949541618,"d":"0.894954"},{"v":-7.29800492515617,"d":"-7.298005"},{"v":0.2240491429203761,"d":"0.224049"},"phase_2.00_1.00_1.00_0.50_24_0_temp_4.log",1,"Purple"]
[0.5,{"v":1,"d":"1.0"},4,{"v":0.9420570124,"d":"0.942057"},{"v":-5.574731431654647,"d":"-5.574731"},{"v":0.24259740446535488,"d":"0.242597"},"phase_2.00_1.00_1.00_0.50_24_0_temp_4.log",1,"Purple"]
[0.5,{"v":1,"d":"1.0"},4,{"v":0.9916389605,"d":"0.991639"},{"v":-3.6773443979969573,"d":"-3.677344"},{"v":0.3055205625991824,"d":"0.305521"},"phase_2.00_1.00_1.00_0.50_24_0_temp_4.log",1,"Purple"]
[0.5,{"v":1,"d":"1.0"},4,{"v":1.043830485,"d":"1.043830"},{"v":-1.5132379169296402,"d":"-1.513238"},{"v":0.15922096935328528,"d":"0.159221"},"phase_2.00_1.00_1.00_0.50_24_0_temp_4.log",1,"Purple"]
[0.5,{"v":1,"d":"1.0"},4,{"v":1.098768931,"d":"1.098769"},{"v":-1.1690226234622105,"d":"-1.169023"},{"v":0.0769297552829736,"d":"0.076930"},"phase_2.00_1.00_1.00_0.50_24_0_temp_4.log",1,"Purple"]
[0.5,{"v":1,"d":"1.0"},4,{"v":1.156598875,"d":"1.156599"},{"v":-0.9819032945208465,"d":"-0.981903"},{"v":0.0600031241977485,"d":"0.060003"},"phase_2.00_1.00_1.00_0.50_24_0_temp_4.log",1,"Purple"]
[0.5,{"v":1,"d":"1.0"},4,{"v":1.2174725,"d":"1.217473"},{"v":-0.8465213030879104,"d":"-0.846521"},{"v":0.050578675556575116,"d":"0.050579"},"phase_2.00_1.00_1.00_0.50_24_0_temp_4.log",1,"Purple"]
[0.5,{"v":1,"d":"1.0"},4,{"v":1.28155,"d":"1.281550"},{"v":-0.7451086784726366,"d":"-0.745109"},{"v":0.0464899918944835,"d":"0.046490"},"phase_2.00_1.00_1.00_0.50_24_0_temp_4.log",1,"Purple"]
[0.5,{"v":1,"d":"1.0"},4,{"v":1.349,"d":"1.349000"},{"v":-0.6578905956421388,"d":"-0.657891"},{"v":0.04550834241317894,"d":"0.045508"},"phase_2.00_1.00_1.00_0.50_24_0_temp_4.log",1,"Purple"]
[0.5,{"v":1,"d":"1.0"},5,{"v":0.7289457583,"d":"0.728946"},{"v":-19.9268945299602,"d":"-19.926895"},{"v":1.787623347419907,"d":"1.787623"},"phase_2.00_1.00_1.00_0.50_24_0_temp_5.log",1,"Purple"]
[0.5,{"v":1,"d":"1.0"},5,{"v":0.7673113245,"d":"0.767311"},{"v":-15.131311971574455,"d":"-15.131312"},{"v":0.16466421729493122,"d":"0.164664"},"phase_2.00_1.00_1.00_0.50_24_0_temp_5.log",1,"Purple"]
[0.5,{"v":1,"d":"1.0"},5,{"v":0.807696131,"d":"0.807696"},{"v":-11.797349990679752,"d":"-11.797350"},{"v":1.4534892401810755,"d":"1.453489"},"phase_2.00_1.00_1.00_0.50_24_0_temp_5.log",1,"Purple"]
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[0.1,0.6,1,{"v":0.8502064537,"d":"0.850206"},{"v":-22.716013018597145,"d":"-22.716013"},{"v":0.14199014801865648,"d":"0.141990"},"phase_1.20_1.00_0.60_0.50_37_0_temp_1.log",4,"Light green"]
[0.1,0.6,1,{"v":0.8949541618,"d":"0.894954"},{"v":-20.991655489661174,"d":"-20.991655"},{"v":0.16310427226099913,"d":"0.163104"},"phase_1.20_1.00_0.60_0.50_37_0_temp_1.log",4,"Light green"]
[0.1,0.6,1,{"v":0.9420570124,"d":"0.942057"},{"v":-18.478096301307286,"d":"-18.478096"},{"v":2.6402618436635366,"d":"2.640262"},"phase_1.20_1.00_0.60_0.50_37_0_temp_1.log",4,"Light green"]
[0.1,0.6,1,{"v":0.9916389605,"d":"0.991639"},{"v":-3.9671675083347786,"d":"-3.967168"},{"v":0.3966895011108436,"d":"0.396690"},"phase_1.20_1.00_0.60_0.50_37_0_temp_1.log",4,"Light green"]
[0.1,0.6,1,{"v":1.043830485,"d":"1.043830"},{"v":-1.91170580388505,"d":"-1.911706"},{"v":0.13124102328625323,"d":"0.131241"},"phase_1.20_1.00_0.60_0.50_37_0_temp_1.log",4,"Light green"]
[0.1,0.6,1,{"v":1.098768931,"d":"1.098769"},{"v":-1.4941974849526765,"d":"-1.494197"},{"v":0.09699293627047705,"d":"0.096993"},"phase_1.20_1.00_0.60_0.50_37_0_temp_1.log",4,"Light green"]
[0.1,0.6,1,{"v":1.156598875,"d":"1.156599"},{"v":-1.2225623634395848,"d":"-1.222562"},{"v":0.0767551021333277,"d":"0.076755"},"phase_1.20_1.00_0.60_0.50_37_0_temp_1.log",4,"Light green"]
[0.1,0.6,1,{"v":1.2174725,"d":"1.217473"},{"v":-1.0230143351159287,"d":"-1.023014"},{"v":0.0672267117627021,"d":"0.067227"},"phase_1.20_1.00_0.60_0.50_37_0_temp_1.log",4,"Light green"]
[0.1,0.6,1,{"v":1.28155,"d":"1.281550"},{"v":-0.8726999632208521,"d":"-0.872700"},{"v":0.058904726486506666,"d":"0.058905"},"phase_1.20_1.00_0.60_0.50_37_0_temp_1.log",4,"Light green"]
[0.1,0.6,1,{"v":1.349,"d":"1.349000"},{"v":-0.7503382761077513,"d":"-0.750338"},{"v":0.058604474600159266,"d":"0.058604"},"phase_1.20_1.00_0.60_0.50_37_0_temp_1.log",4,"Light green"]
[0.1,0.6,4,{"v":0.8502064537,"d":"0.850206"},{"v":-22.751728360970596,"d":"-22.751728"},{"v":0.13441716841768214,"d":"0.134417"},"phase_1.20_1.00_0.60_0.50_37_0_temp_4.log",4,"Light green"]
[0.1,0.6,4,{"v":0.8949541618,"d":"0.894954"},{"v":-21.125930277283736,"d":"-21.125930"},{"v":0.13990023680223,"d":"0.139900"},"phase_1.20_1.00_0.60_0.50_37_0_temp_4.log",4,"Light green"]
[0.1,0.6,4,{"v":0.9420570124,"d":"0.942057"},{"v":-18.532621486239577,"d":"-18.532621"},{"v":2.593083033266809,"d":"2.593083"},"phase_1.20_1.00_0.60_0.50_37_0_temp_4.log",4,"Light green"]
[0.1,0.6,4,{"v":0.9916389605,"d":"0.991639"},{"v":-3.8048081968690814,"d":"-3.804808"},{"v":0.35704190527594054,"d":"0.357042"},"phase_1.20_1.00_0.60_0.50_37_0_temp_4.log",4,"Light green"]
[0.1,0.6,4,{"v":1.043830485,"d":"1.043830"},{"v":-1.9332697264794383,"d":"-1.933270"},{"v":0.13110999469521567,"d":"0.131110"},"phase_1.20_1.00_0.60_0.50_37_0_temp_4.log",4,"Light green"]
[0.1,0.6,4,{"v":1.098768931,"d":"1.098769"},{"v":-1.4970668572336434,"d":"-1.497067"},{"v":0.10212643006284414,"d":"0.102126"},"phase_1.20_1.00_0.60_0.50_37_0_temp_4.log",4,"Light green"]
[0.1,0.6,4,{"v":1.156598875,"d":"1.156599"},{"v":-1.2253308740259867,"d":"-1.225331"},{"v":0.08255858467156228,"d":"0.082559"},"phase_1.20_1.00_0.60_0.50_37_0_temp_4.log",4,"Light green"]
[0.1,0.6,4,{"v":1.2174725,"d":"1.217473"},{"v":-1.0200222703591624,"d":"-1.020022"},{"v":0.06964466792799849,"d":"0.069645"},"phase_1.20_1.00_0.60_0.50_37_0_temp_4.log",4,"Light green"]
[0.1,0.6,4,{"v":1.28155,"d":"1.281550"},{"v":-0.8697210086374357,"d":"-0.869721"},{"v":0.058106845421464166,"d":"0.058107"},"phase_1.20_1.00_0.60_0.50_37_0_temp_4.log",4,"Light green"]
[0.1,0.6,4,{"v":1.349,"d":"1.349000"},{"v":-0.7473887149542376,"d":"-0.747389"},{"v":0.054604294798149614,"d":"0.054604"},"phase_1.20_1.00_0.60_0.50_37_0_temp_4.log",4,"Light green"]
[0.1,0.6,5,{"v":0.807696131,"d":"0.807696"},{"v":-24.15875957124256,"d":"-24.158760"},{"v":0.16420741762711316,"d":"0.164207"},"phase_1.20_1.00_0.60_0.50_37_0_temp_5.log",4,"Light green"]
[0.1,0.6,5,{"v":0.8502064537,"d":"0.850206"},{"v":-22.48811579028725,"d":"-22.488116"},{"v":0.13619526456959272,"d":"0.136195"},"phase_1.20_1.00_0.60_0.50_37_0_temp_5.log",4,"Light green"]
[0.1,0.6,5,{"v":0.8949541618,"d":"0.894954"},{"v":-20.78306060585272,"d":"-20.783061"},{"v":0.16581016674299962,"d":"0.165810"},"phase_1.20_1.00_0.60_0.50_37_0_temp_5.log",4,"Light green"]
[0.1,0.6,5,{"v":0.9420570124,"d":"0.942057"},{"v":-17.24597582535015,"d":"-17.245976"},{"v":4.0293231668512135,"d":"4.029323"},"phase_1.20_1.00_0.60_0.50_37_0_temp_5.log",4,"Light green"]
[0.1,0.6,5,{"v":0.9916389605,"d":"0.991639"},{"v":-3.869516040207298,"d":"-3.869516"},{"v":0.4256622883277875,"d":"0.425662"},"phase_1.20_1.00_0.60_0.50_37_0_temp_5.log",4,"Light green"]
[0.1,0.6,5,{"v":1.043830485,"d":"1.043830"},{"v":-1.9123679489100112,"d":"-1.912368"},{"v":0.12864402927211327,"d":"0.128644"},"phase_1.20_1.00_0.60_0.50_37_0_temp_5.log",4,"Light green"]
[0.1,0.6,5,{"v":1.098768931,"d":"1.098769"},{"v":-1.5024915053970829,"d":"-1.502492"},{"v":0.10019766940648066,"d":"0.100198"},"phase_1.20_1.00_0.60_0.50_37_0_temp_5.log",4,"Light green"]
[0.1,0.6,5,{"v":1.156598875,"d":"1.156599"},{"v":-1.2250448520978954,"d":"-1.225045"},{"v":0.08071167273120926,"d":"0.080712"},"phase_1.20_1.00_0.60_0.50_37_0_temp_5.log",4,"Light green"]
[0.1,0.6,5,{"v":1.2174725,"d":"1.217473"},{"v":-1.0224588734667772,"d":"-1.022459"},{"v":0.0690759499110765,"d":"0.069076"},"phase_1.20_1.00_0.60_0.50_37_0_temp_5.log",4,"Light green"]
[0.1,0.6,5,{"v":1.28155,"d":"1.281550"},{"v":-0.8704758999800942,"d":"-0.870476"},{"v":0.06080208058743398,"d":"0.060802"},"phase_1.20_1.00_0.60_0.50_37_0_temp_5.log",4,"Light green"]
[0.1,0.6,5,{"v":1.349,"d":"1.349000"},{"v":-0.7501875347249186,"d":"-0.750188"},{"v":0.055005619371377504,"d":"0.055006"},"phase_1.20_1.00_0.60_0.50_37_0_temp_5.log",4,"Light green"]

{"sheet":"Supplementary Fig. 9","index":7,"n_rows":972,"n_cols":10,"rows_kept":972,"merged":[[0,0,0,9],[1,0,1,9]]}
["Supplementary Figure 9"]
["Zeo++ pore-size-distribution histogram values. The plotted relative derivative is the derivative distribution divided by the cumulative void volume at D = 12 angstrom, matching the plotting script."]
[]
["Structure ID","t","sigma_ang","Phase ID","Phase name","Pore diameter D (angstrom)","Count","Cumulative distribution","Derivative distribution","Relative dV/dD"]
["t_5_2",0.5,0.2,1,"Purple",{"v":0,"d":"0.0"},0,{"v":1,"d":"1.000000"},{"v":0,"d":"0.000000"},{"v":0,"d":"0.000000"}]
["t_5_2",0.5,0.2,1,"Purple",0.1,0,{"v":1,"d":"1.000000"},{"v":0,"d":"0.000000"},{"v":0,"d":"0.000000"}]
["t_5_2",0.5,0.2,1,"Purple",0.2,0,{"v":1,"d":"1.000000"},{"v":0,"d":"0.000000"},{"v":0,"d":"0.000000"}]
["t_5_2",0.5,0.2,1,"Purple",0.3,0,{"v":1,"d":"1.000000"},{"v":0,"d":"0.000000"},{"v":0,"d":"0.000000"}]
["t_5_2",0.5,0.2,1,"Purple",0.4,0,{"v":1,"d":"1.000000"},{"v":0,"d":"0.000000"},{"v":0,"d":"0.000000"}]
["t_5_2",0.5,0.2,1,"Purple",0.5,0,{"v":1,"d":"1.000000"},{"v":0,"d":"0.000000"},{"v":0,"d":"0.000000"}]
["t_5_2",0.5,0.2,1,"Purple",0.6,0,{"v":1,"d":"1.000000"},{"v":0,"d":"0.000000"},{"v":0,"d":"0.000000"}]
["t_5_2",0.5,0.2,1,"Purple",0.7,0,{"v":1,"d":"1.000000"},{"v":0,"d":"0.000000"},{"v":0,"d":"0.000000"}]
["t_5_2",0.5,0.2,1,"Purple",0.8,0,{"v":1,"d":"1.000000"},{"v":0,"d":"0.000000"},{"v":0,"d":"0.000000"}]
["t_5_2",0.5,0.2,1,"Purple",0.9,0,{"v":1,"d":"1.000000"},{"v":0,"d":"0.000000"},{"v":0,"d":"0.000000"}]
["t_5_2",0.5,0.2,1,"Purple",{"v":1,"d":"1.0"},0,{"v":1,"d":"1.000000"},{"v":0,"d":"0.000000"},{"v":0,"d":"0.000000"}]
["t_5_2",0.5,0.2,1,"Purple",1.1,0,{"v":1,"d":"1.000000"},{"v":0,"d":"0.000000"},{"v":0,"d":"0.000000"}]
["t_5_2",0.5,0.2,1,"Purple",1.2,0,{"v":1,"d":"1.000000"},{"v":0,"d":"0.000000"},{"v":0,"d":"0.000000"}]
["t_5_2",0.5,0.2,1,"Purple",1.3,0,{"v":1,"d":"1.000000"},{"v":0,"d":"0.000000"},{"v":0,"d":"0.000000"}]
["t_5_2",0.5,0.2,1,"Purple",1.4,0,{"v":1,"d":"1.000000"},{"v":0,"d":"0.000000"},{"v":0,"d":"0.000000"}]
["t_5_2",0.5,0.2,1,"Purple",1.5,0,{"v":1,"d":"1.000000"},{"v":0,"d":"0.000000"},{"v":0,"d":"0.000000"}]
["t_5_2",0.5,0.2,1,"Purple",1.6,0,{"v":1,"d":"1.000000"},{"v":0,"d":"0.000000"},{"v":0,"d":"0.000000"}]
["t_5_2",0.5,0.2,1,"Purple",1.7,0,{"v":1,"d":"1.000000"},{"v":0,"d":"0.000000"},{"v":0,"d":"0.000000"}]
["t_5_2",0.5,0.2,1,"Purple",1.8,0,{"v":1,"d":"1.000000"},{"v":0,"d":"0.000000"},{"v":0,"d":"0.000000"}]
["t_5_2",0.5,0.2,1,"Purple",1.9,0,{"v":1,"d":"1.000000"},{"v":0,"d":"0.000000"},{"v":0,"d":"0.000000"}]
["t_5_2",0.5,0.2,1,"Purple",{"v":2,"d":"2.0"},0,{"v":1,"d":"1.000000"},{"v":0,"d":"0.000000"},{"v":0,"d":"0.000000"}]
["t_5_2",0.5,0.2,1,"Purple",2.1,0,{"v":1,"d":"1.000000"},{"v":0,"d":"0.000000"},{"v":0,"d":"0.000000"}]
["t_5_2",0.5,0.2,1,"Purple",2.2,0,{"v":1,"d":"1.000000"},{"v":0,"d":"0.000000"},{"v":0,"d":"0.000000"}]
["t_5_2",0.5,0.2,1,"Purple",2.3,0,{"v":1,"d":"1.000000"},{"v":0,"d":"0.000000"},{"v":0,"d":"0.000000"}]
["t_5_2",0.5,0.2,1,"Purple",2.4,0,{"v":1,"d":"1.000000"},{"v":0,"d":"0.000000"},{"v":0,"d":"0.000000"}]
["t_5_2",0.5,0.2,1,"Purple",2.5,0,{"v":1,"d":"1.000000"},{"v":0,"d":"0.000000"},{"v":0,"d":"0.000000"}]
["t_5_2",0.5,0.2,1,"Purple",2.6,1,{"v":1,"d":"1.000000"},{"v":0.000219472,"d":"0.000219"},{"v":2.2545929709361811E-4,"d":"0.000225"}]
["t_5_2",0.5,0.2,1,"Purple",2.7,0,0.999956,{"v":0.000219472,"d":"0.000219"},{"v":2.2545929709361811E-4,"d":"0.000225"}]
["t_5_2",0.5,0.2,1,"Purple",2.8,3,0.999956,{"v":0.000658415,"d":"0.000658"},{"v":6.7637686400039447E-4,"d":"0.000676"}]
["t_5_2",0.5,0.2,1,"Purple",2.9,1,0.999824,{"v":0.000877886,"d":"0.000878"},{"v":9.0183513381355271E-4,"d":"0.000902"}]
["t_5_2",0.5,0.2,1,"Purple",{"v":3,"d":"3.0"},2,0.999781,{"v":0.000658415,"d":"0.000658"},{"v":6.7637686400039447E-4,"d":"0.000676"}]
["t_5_2",0.5,0.2,1,"Purple",3.1,5,0.999693,{"v":1.5363E-3,"d":"0.001536"},{"v":1.5782109705334874E-3,"d":"0.001578"}]
["t_5_2",0.5,0.2,1,"Purple",3.2,4,0.999473,{"v":0.00197524,"d":"0.001975"},{"v":2.0291254555988843E-3,"d":"0.002029"}]
["t_5_2",0.5,0.2,1,"Purple",3.3,11,0.999298,{"v":0.00329207,"d":"0.003292"},{"v":3.3818791835996728E-3,"d":"0.003382"}]
["t_5_2",0.5,0.2,1,"Purple",3.4,5,0.998815,{"v":0.00351154,"d":"0.003512"},{"v":0.003607336426132371,"d":"0.003607"}]
["t_5_2",0.5,0.2,1,"Purple",3.5,19,0.998595,{"v":0.00526732,"d":"0.005267"},{"v":0.005411014912003156,"d":"0.005411"}]
["t_5_2",0.5,0.2,1,"Purple",3.6,9,0.997761,{"v":6.1452E-3,"d":"0.006145"},{"v":6.3128438821339495E-3,"d":"0.006313"}]
["t_5_2",0.5,0.2,1,"Purple",3.7,11,0.997366,{"v":0.00438943,"d":"0.004389"},{"v":0.004509175669067764,"d":"0.004509"}]
["t_5_2",0.5,0.2,1,"Purple",3.8,6,0.996884,{"v":0.00373102,"d":"0.003731"},{"v":3.8328039414696684E-3,"d":"0.003833"}]
["t_5_2",0.5,0.2,1,"Purple",3.9,11,{"v":0.99662,"d":"0.996620"},{"v":0.00373102,"d":"0.003731"},{"v":3.8328039414696684E-3,"d":"0.003833"}]
["t_5_2",0.5,0.2,1,"Purple",{"v":4,"d":"4.0"},0,0.996137,{"v":0.00241419,"d":"0.002414"},{"v":0.00248005021346888,"d":"0.002480"}]
["t_5_2",0.5,0.2,1,"Purple",4.1,1,0.996137,{"v":0.000219472,"d":"0.000219"},{"v":2.2545929709361811E-4,"d":"0.000225"}]
["t_5_2",0.5,0.2,1,"Purple",4.2,1,0.996093,{"v":0.000438943,"d":"0.000439"},{"v":4.5091756690677636E-4,"d":"0.000451"}]
["t_5_2",0.5,0.2,1,"Purple",4.3,1,{"v":0.99605,"d":"0.996050"},{"v":0.000438943,"d":"0.000439"},{"v":4.5091756690677636E-4,"d":"0.000451"}]
["t_5_2",0.5,0.2,1,"Purple",4.4,1,0.996006,{"v":0.000438943,"d":"0.000439"},{"v":4.5091756690677636E-4,"d":"0.000451"}]
["t_5_2",0.5,0.2,1,"Purple",4.5,3,0.995962,{"v":0.000877886,"d":"0.000878"},{"v":9.0183513381355271E-4,"d":"0.000902"}]
["t_5_2",0.5,0.2,1,"Purple",4.6,1,{"v":0.99583,"d":"0.995830"},{"v":0.000877886,"d":"0.000878"},{"v":9.0183513381355271E-4,"d":"0.000902"}]
["t_5_2",0.5,0.2,1,"Purple",4.7,0,0.995786,{"v":0.000219472,"d":"0.000219"},{"v":2.2545929709361811E-4,"d":"0.000225"}]
["t_5_2",0.5,0.2,1,"Purple",4.8,1,0.995786,{"v":0.000219472,"d":"0.000219"},{"v":2.2545929709361811E-4,"d":"0.000225"}]
["t_5_2",0.5,0.2,1,"Purple",4.9,1,0.995742,{"v":0.000438943,"d":"0.000439"},{"v":4.5091756690677636E-4,"d":"0.000451"}]
["t_5_2",0.5,0.2,1,"Purple",{"v":5,"d":"5.0"},0,0.995698,{"v":0.000219472,"d":"0.000219"},{"v":2.2545929709361811E-4,"d":"0.000225"}]
["t_5_2",0.5,0.2,1,"Purple",5.1,0,0.995698,{"v":0,"d":"0.000000"},{"v":0,"d":"0.000000"}]
["t_5_2",0.5,0.2,1,"Purple",5.2,2,0.995698,{"v":0.000438943,"d":"0.000439"},{"v":4.5091756690677636E-4,"d":"0.000451"}]
["t_5_2",0.5,0.2,1,"Purple",5.3,0,0.995611,{"v":0.000438943,"d":"0.000439"},{"v":4.5091756690677636E-4,"d":"0.000451"}]
["t_5_2",0.5,0.2,1,"Purple",5.4,1,0.995611,{"v":0.000219472,"d":"0.000219"},{"v":2.2545929709361811E-4,"d":"0.000225"}]
["t_5_2",0.5,0.2,1,"Purple",5.5,0,0.995567,{"v":0.000219472,"d":"0.000219"},{"v":2.2545929709361811E-4,"d":"0.000225"}]
["t_5_2",0.5,0.2,1,"Purple",5.6,1,0.995567,{"v":0.000219472,"d":"0.000219"},{"v":2.2545929709361811E-4,"d":"0.000225"}]
["t_5_2",0.5,0.2,1,"Purple",5.7,1,0.995523,{"v":0.000438943,"d":"0.000439"},{"v":4.5091756690677636E-4,"d":"0.000451"}]
["t_5_2",0.5,0.2,1,"Purple",5.8,4,0.995479,{"v":0.00109736,"d":"0.001097"},{"v":1.1272964854680905E-3,"d":"0.001127"}]
["t_5_2",0.5,0.2,1,"Purple",5.9,4,0.995303,{"v":1.75577E-3,"d":"0.001756"},{"v":1.8036682130661856E-3,"d":"0.001804"}]
["t_5_2",0.5,0.2,1,"Purple",{"v":6,"d":"6.0"},2,0.995128,{"v":1.31683E-3,"d":"0.001317"},{"v":0.001352753728000789,"d":"0.001353"}]
["t_5_2",0.5,0.2,1,"Purple",6.1,3,{"v":0.99504,"d":"0.995040"},{"v":0.00109736,"d":"0.001097"},{"v":1.1272964854680905E-3,"d":"0.001127"}]
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