{ "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" 2.851000159978866 "source-unit" "angstrom" "si-unit" "m" "si-value" 2.851000159978866e-10 } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "minimum-atom-separation" { "source-value" [ 2.46526439000664 2.28331190184479 2.29870194822676 2.30437065045028 2.2610559777818 2.31162980004509 2.28276134050093 2.28708726849127 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.46526439000664e-10 2.28331190184479e-10 2.29870194822676e-10 2.30437065045028e-10 2.2610559777818e-10 2.31162980004509e-10 2.28276134050093e-10 2.28708726849127e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.016322768225414206 1.0984858961771031 1.113635558646476 1.081781325841825 1.0769381612918136 0.9510097183220968 0.8423040403254194 0.32140893008899124 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.01632276822541421 1.098485896177103 1.113635558646476 1.081781325841825 1.076938161291814 0.9510097183220968 0.8423040403254194 0.3214089300889912 ] } "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 ] } }