{ "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" 3.521391749382019 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.521391749382019e-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" [ 2.4493326558623 2.23439565500687 2.23241307708822 2.23661217244731 2.22949086015082 2.309948384637 2.23574339807518 2.29566451661317 2.22116265809077 2.18366138446674 2.194733384844 2.26644978611782 2.22414331430231 2.22224540813909 2.2311191034063 2.25266356990309 2.24647385002674 2.23036498033343 2.2355099166169 2.24764257356073 2.24336592594351 2.249242844816 2.45865481206087 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.4493326558623e-10 2.2343956550068703e-10 2.23241307708822e-10 2.2366121724473098e-10 2.2294908601508203e-10 2.309948384637e-10 2.2357433980751803e-10 2.29566451661317e-10 2.22116265809077e-10 2.1836613844667401e-10 2.194733384844e-10 2.26644978611782e-10 2.2241433143023102e-10 2.22224540813909e-10 2.2311191034063e-10 2.25266356990309e-10 2.2464738500267402e-10 2.23036498033343e-10 2.2355099166169003e-10 2.24764257356073e-10 2.2433659259435103e-10 2.249242844816e-10 2.4586548120608706e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.01808958665183755 1.3106876989647178 1.3667341694813073 1.4215397386914095 1.4680102073581587 1.4939761127959865 1.563137379409998 1.4289489413885765 1.6008340026037657 1.6058319179661318 1.5770304839885378 1.4117821286398315 1.4576046282586128 1.396130826031497 1.3925688210214726 1.2768815363374868 1.2401022273005744 1.1337660872497626 1.0180132579521959 0.9276802426203018 0.8535119147055628 0.7744691922247803 0.020466031023188988 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.01808958665183755 1.3106876989647178 1.3667341694813073 1.4215397386914095 1.4680102073581587 1.4939761127959865 1.563137379409998 1.4289489413885765 1.6008340026037657 1.6058319179661318 1.5770304839885378 1.4117821286398315 1.4576046282586128 1.396130826031497 1.3925688210214726 1.2768815363374868 1.2401022273005744 1.1337660872497626 1.0180132579521959 0.9276802426203018 0.8535119147055628 0.7744691922247803 0.020466031023188988 ] } "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" [ "Ni" "Ni" "Ni" "Ni" ] } "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 ] } }