{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.277028 0.75 0.641355 ] [ 0.722972 0.25 0.358645 ] [ 0.895748 0.75 0.199565 ] [ 0.104252 0.25 0.800435 ] [ 0.241151 0.25 0.453327 ] [ 0.758849 0.75 0.546673 ] [ 0.510186 0.25 0.800644 ] [ 0.489814 0.75 0.199356 ] ] } "species" { "source-value" [ "Ti" "Ti" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.02973032 "source-unit" "angstrom" } "b" { "source-value" 3.41561713 "source-unit" "angstrom" } "c" { "source-value" 9.51781416 "source-unit" "angstrom" } "beta" { "source-value" 95.76698843 "source-unit" "degree" } }