{ "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" 4.039798453450203 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.039798453450203e-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" [ 2.72725894168148 2.51539473644027 2.50076319477357 2.51117159432936 2.58681649664958 2.57048081751444 2.56194328293253 2.55230279945397 2.55571741063891 2.51967637769361 2.50614567460084 2.54014058801149 2.53752064203378 2.52921928958946 2.52379269233726 2.55525873855733 2.56581725224724 2.5719284272699 2.57755480319265 2.56618359575634 2.56825920829951 2.58304105945938 2.83826703106685 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.72725894168148e-10 2.51539473644027e-10 2.5007631947735697e-10 2.51117159432936e-10 2.58681649664958e-10 2.57048081751444e-10 2.5619432829325304e-10 2.5523027994539705e-10 2.55571741063891e-10 2.51967637769361e-10 2.5061456746008404e-10 2.5401405880114897e-10 2.53752064203378e-10 2.52921928958946e-10 2.52379269233726e-10 2.55525873855733e-10 2.56581725224724e-10 2.5719284272699e-10 2.57755480319265e-10 2.56618359575634e-10 2.56825920829951e-10 2.5830410594593796e-10 2.83826703106685e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.008954920909995064 0.7660207724493484 0.8155746588941664 0.8788552375540343 0.9451623870790231 1.01877863590782 1.0484825581058157 1.0309916476996197 1.0759756218900007 1.067679116857577 1.087461603064633 1.0440054539984922 0.9690534166592235 0.9131471681026673 0.8967256965983705 0.825844363331295 0.7555671517643341 0.6798751237257875 0.5882637004619581 0.5216820615190171 0.47199987692269485 0.35071898698295817 0.010129297004413973 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.008954920909995064 0.7660207724493484 0.8155746588941664 0.8788552375540343 0.9451623870790231 1.01877863590782 1.0484825581058157 1.0309916476996197 1.0759756218900007 1.067679116857577 1.087461603064633 1.0440054539984922 0.9690534166592235 0.9131471681026673 0.8967256965983705 0.825844363331295 0.7555671517643341 0.6798751237257875 0.5882637004619581 0.5216820615190171 0.47199987692269485 0.35071898698295817 0.010129297004413973 ] } "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" [ "Al" "Al" "Al" "Al" ] } "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 ] } }