{ "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" 2.8553245961666107 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.855324596166611e-10 } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "minimum-atom-separation" { "source-value" [ 2.43124147963733 2.31382142784128 2.32035657184347 2.30991416931169 2.31846884936284 2.30396376084484 2.28755616651759 2.29775051067931 2.2402523760937 2.26326927341523 2.26462888248964 2.25513547461077 2.22608401402878 2.26043245802943 2.23647806855992 2.25502557124238 2.2616535924653 2.26060623890919 2.27146243763071 2.26441656003466 2.26449644234294 2.26975755112608 2.44470011587486 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.43124147963733e-10 2.3138214278412802e-10 2.3203565718434702e-10 2.3099141693116901e-10 2.31846884936284e-10 2.3039637608448402e-10 2.28755616651759e-10 2.2977505106793102e-10 2.2402523760937e-10 2.2632692734152302e-10 2.2646288824896402e-10 2.25513547461077e-10 2.2260840140287803e-10 2.2604324580294301e-10 2.23647806855992e-10 2.25502557124238e-10 2.2616535924652998e-10 2.2606062389091899e-10 2.27146243763071e-10 2.2644165600346604e-10 2.26449644234294e-10 2.26975755112608e-10 2.4447001158748603e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.012744129495760103 0.8901246097794735 0.9229094800905493 0.9820476019746012 1.0032687804043563 1.11565736308418 1.121217276246395 1.0009828597055965 1.1645715720124814 1.180726402999066 1.2011364699029705 1.1116447025240002 1.1864983951464991 1.1611439971547453 1.1560492923973085 1.1209683159966284 1.0821103754257855 1.0062549396639138 0.9068200641496832 0.8300350335660148 0.7697057147378417 0.7050552606864001 0.014418336621749033 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.012744129495760103 0.8901246097794735 0.9229094800905493 0.9820476019746012 1.0032687804043563 1.11565736308418 1.121217276246395 1.0009828597055965 1.1645715720124814 1.180726402999066 1.2011364699029705 1.1116447025240002 1.1864983951464991 1.1611439971547453 1.1560492923973085 1.1209683159966284 1.0821103754257855 1.0062549396639138 0.9068200641496832 0.8300350335660148 0.7697057147378417 0.7050552606864001 0.014418336621749033 ] } "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 ] } }