{ "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" 3.6473073810338983 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.647307381033899e-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" [ 2.55464630166405 2.26369371513106 2.25489248724034 2.26255004159504 2.26035788175811 2.26573293859735 2.22861645687925 2.2711035457669 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.55464630166405e-10 2.26369371513106e-10 2.25489248724034e-10 2.26255004159504e-10 2.26035788175811e-10 2.26573293859735e-10 2.22861645687925e-10 2.2711035457669e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.019262863348857264 1.430758491064017 1.4242679026201073 1.5408896786252566 1.3737903959192963 1.4076563029979148 1.5094633747143074 1.2835581396590368 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.01926286334885726 1.430758491064017 1.424267902620107 1.540889678625257 1.373790395919296 1.407656302997915 1.509463374714307 1.283558139659037 ] } "short-name" { "source-value" [ "fcc" ] } "sigma" { "source-value" [ 5 401 311 39 21 113 365 23 ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" ] } "tilt-angle" { "source-value" [ 0.0 24.43269767945453 27.79577249602797 32.20422750397202 38.21321070173819 46.82644889274107 52.659006983369785 59.99999999999999 ] "source-unit" "degrees" "si-unit" "radian" "si-value" [ 0.0 0.4264310196508597 0.4851277481909706 0.562069803005627 0.6669463445036643 0.8172757101951847 0.9190730526904897 1.047197551196598 ] } "tilt-axis" { "source-value" [ 1 1 1 ] } }