{ "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" 3.678452149033547 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.678452149033547e-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" [ 2.58039356234318 2.29461477689101 2.3003425625743 2.31883357147115 2.30998483783329 2.31438488004032 2.26446805637335 2.42994971961499 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.58039356234318e-10 2.29461477689101e-10 2.3003425625743e-10 2.31883357147115e-10 2.30998483783329e-10 2.31438488004032e-10 2.26446805637335e-10 2.42994971961499e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.019315896069897358 -1.1305190231734195 1.0068824564876446 1.0590036898260553 0.9797205395459979 1.0148504046440017 -1.0125236384741114 0.5646823220668882 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.01931589606989736 -1.130519023173419 1.006882456487645 1.059003689826055 0.9797205395459979 1.014850404644002 -1.012523638474111 0.5646823220668882 ] } "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 ] } }