{ "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" 3.5224674642086033 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.522467464208604e-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" [ 2.47001535733649 2.29928690128293 2.29286650472751 2.28882421583929 2.28556255507077 2.3628779712606 2.30193863031504 2.34719092276636 2.31583519515949 2.28885972914973 2.25870062640113 2.32232137831447 2.30661521485034 2.29453697229291 2.29439554624935 2.31164820881543 2.30401651647519 2.30961683119489 2.30882105199994 2.3041378547205 2.30460362751192 2.30812375415288 2.46223133822401 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.47001535733649e-10 2.29928690128293e-10 2.2928665047275102e-10 2.28882421583929e-10 2.28556255507077e-10 2.3628779712606e-10 2.30193863031504e-10 2.3471909227663604e-10 2.3158351951594903e-10 2.2888597291497299e-10 2.2587006264011298e-10 2.3223213783144702e-10 2.3066152148503403e-10 2.2945369722929103e-10 2.29439554624935e-10 2.3116482088154302e-10 2.30401651647519e-10 2.30961683119489e-10 2.30882105199994e-10 2.3041378547205002e-10 2.3046036275119201e-10 2.30812375415288e-10 2.4622313382240103e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.018071198967685432 1.1364482641089595 1.1769754266920909 1.2145396867366147 1.2434102595783734 1.2681740471818166 1.323181025833107 1.2122651387909187 1.3255859715808596 1.3258489318104834 1.3603269492916945 1.2170686023961172 1.2436276213191226 1.1914905747365026 1.1948598372751547 1.1084437578206179 1.0770988934434782 0.9854929659579599 0.8936004083301107 0.8181679731196146 0.7569387748682018 0.689237465997253 0.020445227740899904 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.018071198967685432 1.1364482641089595 1.1769754266920909 1.2145396867366147 1.2434102595783734 1.2681740471818166 1.323181025833107 1.2122651387909187 1.3255859715808596 1.3258489318104834 1.3603269492916945 1.2170686023961172 1.2436276213191226 1.1914905747365026 1.1948598372751547 1.1084437578206179 1.0770988934434782 0.9854929659579599 0.8936004083301107 0.8181679731196146 0.7569387748682018 0.689237465997253 0.020445227740899904 ] } "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 ] } }