{ "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" 4.080054298043251 "source-unit" "angstrom" "si-unit" "m" "si-value" 4.080054298043251e-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" [ 2.85699337842636 2.59289559200078 2.57862986347195 2.58740001822962 2.64379640181267 2.61867627916917 2.60229197217096 2.69045708528936 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.85699337842636e-10 2.59289559200078e-10 2.57862986347195e-10 2.58740001822962e-10 2.64379640181267e-10 2.61867627916917e-10 2.60229197217096e-10 2.69045708528936e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.014574852910002798 0.6016348922796365 0.5950681407325499 0.5959254272901362 0.5617988524947333 0.5374596513228307 0.5727686895566382 0.5739009325509242 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.0145748529100028 0.6016348922796365 0.5950681407325499 0.5959254272901362 0.5617988524947333 0.5374596513228307 0.5727686895566382 0.5739009325509242 ] } "short-name" { "source-value" [ "fcc" ] } "sigma" { "source-value" [ 5 401 311 39 21 113 365 23 ] } "species" { "source-value" [ "Au" "Au" "Au" "Au" ] } "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 ] } }