{ "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" 3.311687663197519 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.311687663197519e-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" [ 2.3201098668526 2.24669718592169 2.24559019142308 2.21995146841513 2.26098955419585 2.24677429537145 2.23259697037204 2.36252773606881 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.3201098668526e-10 2.24669718592169e-10 2.24559019142308e-10 2.21995146841513e-10 2.26098955419585e-10 2.24677429537145e-10 2.23259697037204e-10 2.36252773606881e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ -7.8995905830313475 -1.5422817057214349 -1.8363475458314729 -5.511621659971859 -0.7157800521765075 -0.3571438687599078 -1.0152906708071165 -6.4935992794533 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ -7.899590583031348 -1.542281705721435 -1.836347545831473 -5.511621659971859 -0.7157800521765075 -0.3571438687599078 -1.015290670807117 -6.4935992794533 ] } "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 ] } }