{ "property-id" "tag:brunnels@noreply.openkim.org,2016-02-18:property/grain-boundary-symmetric-tilt-energy-relaxed-relation-cubic-crystal" "instance-id" 1 "a" { "source-value" 3.611098513007164 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.611098513007164e-10 } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "minimum-atom-separation" { "source-value" [ 2.51546575312116 2.28456180204507 2.25607288708106 2.25751991021462 2.28058309661031 2.2857928958508 2.28871284112526 2.2865133831596 2.28669664851288 2.27455746876071 2.28589145663539 2.26674886233268 2.30084247341098 2.28888667897203 2.29973853587666 2.29082674535139 2.29174481183145 2.29523060554481 2.29459293618031 2.30643202110731 2.30317112576224 2.29941563575989 2.51702492513859 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.51546575312116e-10 2.2845618020450701e-10 2.25607288708106e-10 2.25751991021462e-10 2.28058309661031e-10 2.2857928958508002e-10 2.28871284112526e-10 2.2865133831596e-10 2.28669664851288e-10 2.2745574687607101e-10 2.2858914566353898e-10 2.2667488623326803e-10 2.30084247341098e-10 2.2888866789720299e-10 2.29973853587666e-10 2.29082674535139e-10 2.2917448118314502e-10 2.2952306055448102e-10 2.29459293618031e-10 2.3064320211073102e-10 2.3031711257622402e-10 2.2994156357598898e-10 2.51702492513859e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.016398324086109264 0.7853548054837567 0.8346852863680079 0.8928614840485041 0.9620402322132732 1.0567141088981393 1.1250169008586441 1.1052859032167572 1.1565509617868936 1.1077651670694106 1.134185767070228 1.075910266001734 1.058156880884779 1.0026543412734208 0.9955162833366574 0.9043179259208419 0.831263960715909 0.725990003169645 0.6352105333052744 0.5685185464863883 0.5198442160786418 0.44767331005199257 0.01855258585509094 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.016398324086109264 0.7853548054837567 0.8346852863680079 0.8928614840485041 0.9620402322132732 1.0567141088981393 1.1250169008586441 1.1052859032167572 1.1565509617868936 1.1077651670694106 1.134185767070228 1.075910266001734 1.058156880884779 1.0026543412734208 0.9955162833366574 0.9043179259208419 0.831263960715909 0.725990003169645 0.6352105333052744 0.5685185464863883 0.5198442160786418 0.44767331005199257 0.01855258585509094 ] } "short-name" { "source-value" [ "fcc" ] } "sigma" { "source-value" [ 1 1 25 9 25 17 53 9 73 7 29 5 1 17 89 13 37 25 41 15 85 113 1 ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" ] } "tilt-angle" { "source-value" [ 0.0 14.250032697803595 16.26020470831196 18.924644416051233 22.619864948040426 28.072486935852957 31.890791801845708 36.86989764584402 41.112090439166934 43.60281897270362 46.39718102729638 53.13010235415598 59.48976259388444 61.92751306414704 64.01076641616699 67.38013505195957 71.07535558394876 73.73979529168804 77.31961650818018 79.61114218453038 81.20258929000894 82.3718503314193 90.0 ] "source-unit" "degrees" "si-unit" "radian" "si-value" [ 0.0 0.24870998909352293 0.2837941092083279 0.3302973548292537 0.3947911196997616 0.4899573262537284 0.5565993180102228 0.6435011087932845 0.7175413405411447 0.7610127542247299 0.809783572570167 0.9272952180016124 1.038292228493046 1.0808390005411685 1.117198630687125 1.1760052070951352 1.2404989719656432 1.287002217586569 1.3494818844471055 1.3894765523934065 1.417252544255341 1.4376599992432493 1.570796326794897 ] } "tilt-axis" { "source-value" [ 0 0 1 ] } }