{ "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" 2.8667457550764093 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.86674575507641e-10 } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "minimum-atom-separation" { "source-value" [ 2.44177122853812 2.3711189865769 2.37774457150115 2.36288288495714 2.36962835852639 2.37645663959396 2.34178368704486 2.3759455036534 2.32617643561618 2.36561064080101 2.36074524868093 2.39510461366265 2.33717229819822 2.3551819239693 2.30799915256975 2.36495666393541 2.33247918347254 2.32390054668966 2.32549582655352 2.34126743719646 2.34431097074483 2.32363715789985 2.45800793267691 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.44177122853812e-10 2.3711189865769e-10 2.37774457150115e-10 2.36288288495714e-10 2.36962835852639e-10 2.37645663959396e-10 2.34178368704486e-10 2.3759455036534004e-10 2.3261764356161798e-10 2.3656106408010097e-10 2.36074524868093e-10 2.39510461366265e-10 2.3371722981982203e-10 2.3551819239693003e-10 2.3079991525697498e-10 2.3649566639354103e-10 2.3324791834725404e-10 2.32390054668966e-10 2.32549582655352e-10 2.3412674371964603e-10 2.34431097074483e-10 2.3236371578998498e-10 2.45800793267691e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.013126983891262134 1.1244310041205154 1.1785453947535778 1.2585662025355888 1.303675065637604 1.4037592777011665 1.4545751466389165 1.4493997332571298 1.5647603346712098 1.5759385916141389 1.5612982846988932 1.3993793932486485 1.4829011161040229 1.4180731939749145 1.4605172058815945 1.4017761241019606 1.3620823898481271 1.3221489405937779 1.2113793591645345 1.101259491148253 1.0182349765140541 0.9358141222283237 0.014851486926080388 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.013126983891262134 1.1244310041205154 1.1785453947535778 1.2585662025355888 1.303675065637604 1.4037592777011665 1.4545751466389165 1.4493997332571298 1.5647603346712098 1.5759385916141389 1.5612982846988932 1.3993793932486485 1.4829011161040229 1.4180731939749145 1.4605172058815945 1.4017761241019606 1.3620823898481271 1.3221489405937779 1.2113793591645345 1.101259491148253 1.0182349765140541 0.9358141222283237 0.014851486926080388 ] } "short-name" { "source-value" [ "bcc" ] } "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 ] } }