{ "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" 2.863645762205124 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.863645762205124e-10 } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "minimum-atom-separation" { "source-value" [ 2.43810932776014 2.35412651485625 2.35876809300279 2.34606894524095 2.35631995952225 2.3198107771451 2.29990190986031 2.32553760697654 2.29089599732344 2.28885417935907 2.29837236351677 2.3649424637243 2.29475238190859 2.29529793800862 2.28754968413026 2.3003644488452 2.31108125082712 2.30754108564387 2.31700169558817 2.32283859003108 2.32548097651405 2.3172869761208 2.45281333848545 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.43810932776014e-10 2.35412651485625e-10 2.35876809300279e-10 2.3460689452409503e-10 2.3563199595222503e-10 2.3198107771451004e-10 2.29990190986031e-10 2.32553760697654e-10 2.2908959973234403e-10 2.28885417935907e-10 2.29837236351677e-10 2.3649424637243e-10 2.29475238190859e-10 2.2952979380086199e-10 2.28754968413026e-10 2.3003644488452003e-10 2.3110812508271203e-10 2.3075410856438698e-10 2.31700169558817e-10 2.32283859003108e-10 2.3254809765140499e-10 2.3172869761208e-10 2.45281333848545e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.01318582331868245 0.8949179644399526 0.9266798390505496 0.98935580913796 1.0003651090544818 1.1200823666537856 1.1617551944651052 1.1311087379673253 1.2431994514956999 1.236547182395979 1.2514472167214088 1.1136519117311185 1.2074358045531015 1.1546568976149076 1.1862449387819045 1.125629907806182 1.09819894123528 1.021399211913532 0.9230102595017039 0.8443350576110777 0.7821715316895909 0.7120948613964625 0.014918056136765669 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.01318582331868245 0.8949179644399526 0.9266798390505496 0.98935580913796 1.0003651090544818 1.1200823666537856 1.1617551944651052 1.1311087379673253 1.2431994514956999 1.236547182395979 1.2514472167214088 1.1136519117311185 1.2074358045531015 1.1546568976149076 1.1862449387819045 1.125629907806182 1.09819894123528 1.021399211913532 0.9230102595017039 0.8443350576110777 0.7821715316895909 0.7120948613964625 0.014918056136765669 ] } "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 ] } }