{ "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" 2.850997865200043 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.850997865200043e-10 } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "minimum-atom-separation" { "source-value" [ 2.42598565894354 2.34260946032123 2.35282279063531 2.34568509197543 2.32993052327131 2.34640578805406 2.32711264682074 2.36639669637398 2.30934186917703 2.30099715537302 2.29437430332183 2.31670052293529 2.28676926648352 2.2842219087427 2.31982939256945 2.31969124685565 2.32986521466028 2.32691065941535 2.32761654992288 2.32799900366882 2.32183288970464 2.31764988885645 2.44334374674923 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.42598565894354e-10 2.34260946032123e-10 2.35282279063531e-10 2.34568509197543e-10 2.32993052327131e-10 2.34640578805406e-10 2.3271126468207403e-10 2.3663966963739804e-10 2.3093418691770304e-10 2.30099715537302e-10 2.2943743033218298e-10 2.31670052293529e-10 2.2867692664835202e-10 2.2842219087427e-10 2.3198293925694503e-10 2.31969124685565e-10 2.32986521466028e-10 2.32691065941535e-10 2.32761654992288e-10 2.32799900366882e-10 2.32183288970464e-10 2.31764988885645e-10 2.44334374674923e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.013271415999819267 0.9847954013709203 1.0377119418183935 1.125380732839659 1.1877907965400487 1.348696680672708 1.3823156940338712 1.2705872975236632 1.4453751714602343 1.4652263034685604 1.4967378505469267 1.308760206455042 1.3510191872427941 1.252322347333487 1.290804519245115 1.2326928727586441 1.1638724757825099 1.076844265159302 0.9711034341135241 0.8880401164867946 0.8195060585894473 0.7445161752495707 0.015014893200323575 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.013271415999819267 0.9847954013709203 1.0377119418183935 1.125380732839659 1.1877907965400487 1.348696680672708 1.3823156940338712 1.2705872975236632 1.4453751714602343 1.4652263034685604 1.4967378505469267 1.308760206455042 1.3510191872427941 1.252322347333487 1.290804519245115 1.2326928727586441 1.1638724757825099 1.076844265159302 0.9711034341135241 0.8880401164867946 0.8195060585894473 0.7445161752495707 0.015014893200323575 ] } "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" ] } "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 ] } }