{ "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" 3.6583648025989532 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.658364802598953e-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" [ 2.5648541814093 2.21983393147747 2.19059840168955 2.22774438853376 2.20760120328818 2.23002046395459 2.24461584220589 2.34396953572897 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.5648541814093e-10 2.21983393147747e-10 2.19059840168955e-10 2.22774438853376e-10 2.20760120328818e-10 2.23002046395459e-10 2.24461584220589e-10 2.34396953572897e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ -0.4536160764792645 -4.328420751780096 -4.058600236194389 -2.1451259747975353 -3.4528298593205404 -1.7670684306747877 -5.681903039170874 -2.2603261874136935 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ -0.4536160764792645 -4.328420751780096 -4.058600236194389 -2.145125974797535 -3.45282985932054 -1.767068430674788 -5.681903039170874 -2.260326187413694 ] } "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 ] } }