{ "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" 3.5199999883770943 "source-unit" "angstrom" "si-unit" "m" "si-value" 3.519999988377094e-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" [ 2.47052638327323 2.20942227623658 2.2584731435351 2.22357769791722 2.27589158783784 2.25189336316742 2.21751776342507 2.375213311035 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 2.47052638327323e-10 2.20942227623658e-10 2.2584731435351e-10 2.22357769791722e-10 2.27589158783784e-10 2.25189336316742e-10 2.21751776342507e-10 2.375213311035e-10 ] } "relaxed-grain-boundary-energy" { "source-value" [ 0.02222573430239585 1.312403938918941 1.325210556597105 1.3144387640947526 1.2314687658289238 1.260359612829685 1.3216393842432757 1.1753102502174793 ] "source-unit" "J/m^2" "si-unit" "kg / s^2" "si-value" [ 0.02222573430239585 1.312403938918941 1.325210556597105 1.314438764094753 1.231468765828924 1.260359612829685 1.321639384243276 1.175310250217479 ] } "short-name" { "source-value" [ "fcc" ] } "sigma" { "source-value" [ 5 401 311 39 21 113 365 23 ] } "species" { "source-value" [ "Ni" "Ni" "Ni" "Ni" ] } "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 ] } }