{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.640757 0 0.3492 ] [ 0 0.789531 0.5 ] [ 0 0.210469 0.5 ] [ 0 0.737755 0 ] [ 0 0.262245 0 ] [ 0.359243 0 0.6508 ] [ 0.140757 0.5 0.3492 ] [ 0.5 0.289531 0.5 ] [ 0.5 0.710469 0.5 ] [ 0.5 0.237755 0 ] [ 0.5 0.762245 0 ] [ 0.859243 0.5 0.6508 ] [ 0.829779 0 0.851016 ] [ 0.170221 0 0.148984 ] [ 0.329779 0.5 0.851016 ] [ 0.670221 0.5 0.148984 ] [ 0.89985 0 0.140917 ] [ 0.702283 0.866549 0.73623 ] [ 0.702283 0.133451 0.73623 ] [ 0.297717 0.866549 0.26377 ] [ 0.297717 0.133451 0.26377 ] [ 0.10015 0 0.859083 ] [ 0.39985 0.5 0.140917 ] [ 0.202283 0.366549 0.73623 ] [ 0.202283 0.633451 0.73623 ] [ 0.797717 0.366549 0.26377 ] [ 0.797717 0.633451 0.26377 ] [ 0.60015 0.5 0.859083 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Tm" "Tm" "Tm" "Tm" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.96418983 "source-unit" "angstrom" } "b" { "source-value" 12.89740988 "source-unit" "angstrom" } "c" { "source-value" 7.63070211 "source-unit" "angstrom" } "beta" { "source-value" 101.47199868 "source-unit" "degree" } }