{ "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" [ [ 0.63328 0 0.343687 ] [ 0 0.80372 0.5 ] [ 0 0.19628 0.5 ] [ 0 0.743174 0 ] [ 0 0.256826 0 ] [ 0.36672 0 0.656313 ] [ 0.13328 0.5 0.343687 ] [ 0.5 0.30372 0.5 ] [ 0.5 0.69628 0.5 ] [ 0.5 0.243174 0 ] [ 0.5 0.756826 0 ] [ 0.86672 0.5 0.656313 ] [ 0.821089 0 0.849385 ] [ 0.178911 0 0.150615 ] [ 0.321089 0.5 0.849385 ] [ 0.678911 0.5 0.150615 ] [ 0.90228 0 0.156589 ] [ 0.696839 0.857548 0.726852 ] [ 0.696839 0.142452 0.726852 ] [ 0.303161 0.857548 0.273148 ] [ 0.303161 0.142452 0.273148 ] [ 0.09772 0 0.843411 ] [ 0.40228 0.5 0.156589 ] [ 0.196839 0.357548 0.726852 ] [ 0.196839 0.642452 0.726852 ] [ 0.803161 0.357548 0.273148 ] [ 0.803161 0.642452 0.273148 ] [ 0.59772 0.5 0.843411 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Tl" "Tl" "Tl" "Tl" "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" 8.15642074 "source-unit" "angstrom" } "b" { "source-value" 12.69913309 "source-unit" "angstrom" } "c" { "source-value" 7.53436898 "source-unit" "angstrom" } "beta" { "source-value" 101.82423639 "source-unit" "degree" } }