{ "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" 2.863657310605049 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.863657310605049e-10 } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "minimum-atom-separation" { "source-value" [ 2.47643576009483 2.31296238370971 2.32206553301588 2.24457128408905 2.28397771933898 2.32936149584139 2.30603209046924 2.3150976300481 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.47643576009483e-10 2.31296238370971e-10 2.32206553301588e-10 2.24457128408905e-10 2.28397771933898e-10 2.32936149584139e-10 2.30603209046924e-10 2.3150976300481e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.01618052065179753 1.1209119372326515 1.1328788608426101 1.145392029814094 1.0952236649786127 0.9661599006305213 0.8607769406920683 0.3248697457435662 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.01618052065179753 1.120911937232651 1.13287886084261 1.145392029814094 1.095223664978613 0.9661599006305213 0.8607769406920683 0.3248697457435662 ] } "short-name" { "source-value" [ "bcc" ] } "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 ] } }