{ "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" 3.6583647802472123 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.658364780247213e-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" [ 2.38582959602789 2.19179155959992 2.1976472381829 2.20556250574272 2.23861403937974 2.2217817314998 2.23190937013048 2.32245636729514 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.38582959602789e-10 2.19179155959992e-10 2.1976472381829e-10 2.20556250574272e-10 2.23861403937974e-10 2.2217817314998e-10 2.23190937013048e-10 2.32245636729514e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ -2.4821324122278967 -5.429959295699673 -4.487404865679282 -2.1539635564831174 -3.0544765610518008 -2.1166402153091144 -6.333036434981579 -2.7746538658672195 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ -2.482132412227897 -5.429959295699673 -4.487404865679282 -2.153963556483117 -3.054476561051801 -2.116640215309114 -6.333036434981579 -2.77465386586722 ] } "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 ] } }