{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/c" } "basis-atom-coordinates" { "source-value" [ [ 0 0.210669 0.75 ] [ 0 0.789331 0.25 ] [ 0.5 0.710669 0.75 ] [ 0.5 0.289331 0.25 ] [ 0 0.760877 0.75 ] [ 0 0.239123 0.25 ] [ 0.5 0.260877 0.75 ] [ 0.5 0.739123 0.25 ] [ 0.172056 0.914792 0.64958 ] [ 0.827944 0.914792 0.85042 ] [ 0.827944 0.085208 0.35042 ] [ 0.172056 0.085208 0.14958 ] [ 0.5 0 0.5 ] [ 0.5 0 0 ] [ 0.055038 0.395566 0.049157 ] [ 0.944962 0.395566 0.450843 ] [ 0.944962 0.604434 0.950843 ] [ 0.055038 0.604434 0.549157 ] [ 0.194425 0.984684 0.102299 ] [ 0.805575 0.984684 0.397701 ] [ 0.805575 0.015316 0.897701 ] [ 0.194425 0.015316 0.602299 ] [ 0.216661 0.883133 0.055502 ] [ 0.783339 0.883133 0.444498 ] [ 0.783339 0.116867 0.944498 ] [ 0.216661 0.116867 0.555502 ] [ 0.672056 0.414792 0.64958 ] [ 0.327944 0.414792 0.85042 ] [ 0.327944 0.585208 0.35042 ] [ 0.672056 0.585208 0.14958 ] [ 0 0.5 0.5 ] [ 0 0.5 0 ] [ 0.555038 0.895566 0.049157 ] [ 0.444962 0.895566 0.450843 ] [ 0.444962 0.104434 0.950843 ] [ 0.555038 0.104434 0.549157 ] [ 0.694425 0.484684 0.102299 ] [ 0.305575 0.484684 0.397701 ] [ 0.305575 0.515316 0.897701 ] [ 0.694425 0.515316 0.602299 ] [ 0.716661 0.383133 0.055502 ] [ 0.283339 0.383133 0.444498 ] [ 0.283339 0.616867 0.944498 ] [ 0.716661 0.616867 0.555502 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Sr" "Sr" "Sr" "Sr" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.36830147014 "source-unit" "angstrom" } "b" { "source-value" 10.3361084971 "source-unit" "angstrom" } "c" { "source-value" 9.12103058581 "source-unit" "angstrom" } "beta" { "source-value" 119.540782996 "source-unit" "degree" } }