{ "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" 3.623951092362404 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.623951092362404e-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" [ 2.41975411715455 2.20558264446535 2.24534015792852 2.22838953647033 2.27956364396059 2.33384414662639 2.25486456411734 2.34166252972465 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.41975411715455e-10 2.20558264446535e-10 2.24534015792852e-10 2.22838953647033e-10 2.27956364396059e-10 2.33384414662639e-10 2.25486456411734e-10 2.34166252972465e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ -1.0564780743497197 -3.965111159852246 -3.164582138519742 -1.3799676818705433 -2.2310441593392825 -1.3035175075601597 -4.453166151695874 -2.5047350667649635 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ -1.05647807434972 -3.965111159852246 -3.164582138519742 -1.379967681870543 -2.231044159339282 -1.30351750756016 -4.453166151695874 -2.504735066764963 ] } "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 ] } }