{ "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" 2.653443209826946 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.653443209826946e-10 } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "minimum-atom-separation" { "source-value" [ 2.29588784397829 2.18360133565927 2.17456425617798 2.18806728415622 2.18003088362961 2.17882572626459 2.16460343525335 2.14761564668538 2.11541806783255 2.10878203861534 2.12957574765024 2.16900893509582 2.12803028097693 2.14409342979607 2.15401461992535 2.16112541327066 2.17485447731413 2.13036748312493 2.13981742416774 2.14508731943151 2.15272594373464 2.15342091510791 2.28611592895467 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.29588784397829e-10 2.1836013356592702e-10 2.17456425617798e-10 2.18806728415622e-10 2.1800308836296098e-10 2.1788257262645902e-10 2.16460343525335e-10 2.14761564668538e-10 2.11541806783255e-10 2.10878203861534e-10 2.12957574765024e-10 2.1690089350958202e-10 2.1280302809769302e-10 2.1440934297960703e-10 2.1540146199253498e-10 2.1611254132706603e-10 2.1748544773141298e-10 2.13036748312493e-10 2.13981742416774e-10 2.14508731943151e-10 2.1527259437346402e-10 2.15342091510791e-10 2.2861159289546702e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.030137326808406164 3.3795578745025403 3.4526557436287133 3.626333692346696 3.4987014419575275 3.6469274014756086 3.866536275422692 4.360947985836107 4.332034273073779 4.2677681702305765 4.200611519172898 3.6121032769575843 4.067203860711919 3.960278134051127 4.04431504399628 3.8582604203431874 3.928498386044805 3.854636783509856 3.701694353156963 3.5167329946504475 3.2787765986800124 2.6227856707639114 0.034136124952147615 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.030137326808406164 3.3795578745025403 3.4526557436287133 3.626333692346696 3.4987014419575275 3.6469274014756086 3.866536275422692 4.360947985836107 4.332034273073779 4.2677681702305765 4.200611519172898 3.6121032769575843 4.067203860711919 3.960278134051127 4.04431504399628 3.8582604203431874 3.928498386044805 3.854636783509856 3.701694353156963 3.5167329946504475 3.2787765986800124 2.6227856707639114 0.034136124952147615 ] } "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" [ "Mo" "Mo" "Mo" "Mo" ] } "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 ] } }