{ "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" 3.604343503713608 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.604343503713608e-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" [ 2.50810256489576 2.2521725475 2.24888614159298 2.24488121685282 2.25090676207492 2.25268834301909 2.25837843775673 2.257834457676 2.26759763350525 2.25586784385321 2.26113804476243 2.23378381721882 2.27281003698249 2.24644229875012 2.27415179168714 2.26340133875699 2.26756325994868 2.25911964213165 2.27682199690016 2.27884828199403 2.27996461198446 2.27010748212747 2.50643024016787 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.50810256489576e-10 2.2521725474999999e-10 2.2488861415929803e-10 2.24488121685282e-10 2.2509067620749202e-10 2.25268834301909e-10 2.25837843775673e-10 2.2578344576760002e-10 2.26759763350525e-10 2.25586784385321e-10 2.2611380447624301e-10 2.2337838172188202e-10 2.2728100369824904e-10 2.2464422987501199e-10 2.2741517916871402e-10 2.26340133875699e-10 2.26756325994868e-10 2.2591196421316503e-10 2.2768219969001602e-10 2.27884828199403e-10 2.27996461198446e-10 2.27010748212747e-10 2.50643024016787e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.01647673139810168 0.7565732902104015 0.8061251607918947 0.8705819172659828 0.9450624512987796 1.0471849824719663 1.116199593386362 1.102288801149742 1.148893017840972 1.1023302430681445 1.1225238278775915 1.0598368756946768 1.0433990116202092 0.9913299739661374 0.9814133658101145 0.8878637539166913 0.812669567209161 0.7071120604366611 0.6072607757625408 0.5415633772002458 0.49486786659591186 0.411879981634937 0.018641293601929437 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.01647673139810168 0.7565732902104015 0.8061251607918947 0.8705819172659828 0.9450624512987796 1.0471849824719663 1.116199593386362 1.102288801149742 1.148893017840972 1.1023302430681445 1.1225238278775915 1.0598368756946768 1.0433990116202092 0.9913299739661374 0.9814133658101145 0.8878637539166913 0.812669567209161 0.7071120604366611 0.6072607757625408 0.5415633772002458 0.49486786659591186 0.411879981634937 0.018641293601929437 ] } "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 ] } }