{ "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" 3.521391771733761 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.521391771733761e-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" [ 2.42645587101233 2.24139063830606 2.2388754024016 2.24248394489881 2.32865505003639 2.32101753723124 2.2152486060268 2.2963178289922 2.23476992136245 2.24697833038594 2.23170672435012 2.29297321366503 2.2178660615459 2.24020445949777 2.23561621586964 2.255697352706 2.23421033318272 2.23093575743897 2.23807037566077 2.23265266193813 2.26799719332747 2.25678098633279 2.4849283638348 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.42645587101233e-10 2.2413906383060602e-10 2.2388754024016002e-10 2.2424839448988098e-10 2.32865505003639e-10 2.3210175372312398e-10 2.2152486060268004e-10 2.2963178289922e-10 2.23476992136245e-10 2.24697833038594e-10 2.23170672435012e-10 2.2929732136650302e-10 2.2178660615458998e-10 2.24020445949777e-10 2.2356162158696403e-10 2.255697352706e-10 2.2342103331827202e-10 2.23093575743897e-10 2.23807037566077e-10 2.23265266193813e-10 2.26799719332747e-10 2.2567809863327902e-10 2.4849283638348e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.018146669696994914 1.3130180669198237 1.366960958523029 1.4493273822093864 1.4683433190897044 1.493317836047983 1.5247857965559029 1.4286141541119972 1.5525625719963747 1.5524023820190207 1.572627436682183 1.4244547519896056 1.4511622329937317 1.3973361859585613 1.3936475669254316 1.2774760222214174 1.2389023943984936 1.1324680070070663 1.0176196846586825 0.9307752150264162 0.8532201070345232 0.7708943163360018 0.020522328060128124 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.018146669696994914 1.3130180669198237 1.366960958523029 1.4493273822093864 1.4683433190897044 1.493317836047983 1.5247857965559029 1.4286141541119972 1.5525625719963747 1.5524023820190207 1.572627436682183 1.4244547519896056 1.4511622329937317 1.3973361859585613 1.3936475669254316 1.2774760222214174 1.2389023943984936 1.1324680070070663 1.0176196846586825 0.9307752150264162 0.8532201070345232 0.7708943163360018 0.020522328060128124 ] } "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 ] } }