{ "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" 3.604128666222096 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.604128666222096e-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" [ 2.42477894841065 2.2798086391758 2.27471328036853 2.26502904583759 2.31283190420125 2.31767090518199 2.28824026782649 2.37437916366361 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.42477894841065e-10 2.2798086391758e-10 2.27471328036853e-10 2.26502904583759e-10 2.31283190420125e-10 2.31767090518199e-10 2.28824026782649e-10 2.37437916366361e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ -1.4293881156643502 -3.639622054016428 -3.4892886675519335 -1.4128084199934092 -1.7073602402924564 -1.6185801575078473 -5.516669709268864 -1.6763422788613904 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ -1.42938811566435 -3.639622054016428 -3.489288667551933 -1.412808419993409 -1.707360240292456 -1.618580157507847 -5.516669709268864 -1.67634227886139 ] } "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 ] } }