{ "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" 3.6473073810338983 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.647307381033899e-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" [ 2.53457560189708 2.23870002614712 2.31783531113506 2.2499862499572 2.36745309424558 2.33969116921453 2.24497606142945 2.27993456684918 2.30186809921833 2.27211045284693 2.29112501715166 2.36085558592056 2.20587321451448 2.32392927874178 2.23080064108561 2.29348221586275 2.30361738516459 2.32556578887757 2.30106148071367 2.30203261413579 2.18069698530066 2.18513742179311 2.55139323203316 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.53457560189708e-10 2.2387000261471202e-10 2.31783531113506e-10 2.2499862499572e-10 2.3674530942455803e-10 2.3396911692145304e-10 2.2449760614294498e-10 2.27993456684918e-10 2.30186809921833e-10 2.2721104528469299e-10 2.2911250171516602e-10 2.36085558592056e-10 2.20587321451448e-10 2.3239292787417802e-10 2.23080064108561e-10 2.29348221586275e-10 2.30361738516459e-10 2.32556578887757e-10 2.3010614807136702e-10 2.30203261413579e-10 2.18069698530066e-10 2.18513742179311e-10 2.55139323203316e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.01577935178743134 1.1440104334591474 1.2294664641008393 1.2918023337372648 1.3799427040400383 1.395477127102504 1.3955612189786195 1.280083300129508 1.3955244852556055 1.4058917942862479 1.4443472568389322 1.2507176497254349 1.3319550090975896 1.28600820771458 1.277574300601396 1.1688661250406667 1.0867411622025303 0.985054878162585 0.8692245510167153 0.7792848415167939 0.7064829866995851 0.6225830485970176 0.01784479602412941 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.01577935178743134 1.1440104334591474 1.2294664641008393 1.2918023337372648 1.3799427040400383 1.395477127102504 1.3955612189786195 1.280083300129508 1.3955244852556055 1.4058917942862479 1.4443472568389322 1.2507176497254349 1.3319550090975896 1.28600820771458 1.277574300601396 1.1688661250406667 1.0867411622025303 0.985054878162585 0.8692245510167153 0.7792848415167939 0.7064829866995851 0.6225830485970176 0.01784479602412941 ] } "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 ] } }