{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2" } "basis-atom-coordinates" { "source-value" [ [ 0 0.25366 0.5 ] [ 0.5 0.508936 0 ] [ 0 0.741162 0.5 ] [ 0.5 0.241806 0.5 ] [ 0 0.007867 0 ] [ 0.803739 0.776987 0.062401 ] [ 0.721225 0.471482 0.39711 ] [ 0.196261 0.776987 0.937599 ] [ 0.262291 0.228814 0.06618 ] [ 0.156406 0.020984 0.366243 ] [ 0.278775 0.471482 0.60289 ] [ 0.737709 0.228814 0.93382 ] [ 0.843594 0.020984 0.633757 ] ] } "species" { "source-value" [ "Li" "Y" "Y" "Y" "W" "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" 5.94480411 "source-unit" "angstrom" } "b" { "source-value" 5.96919435 "source-unit" "angstrom" } "c" { "source-value" 6.18732455 "source-unit" "angstrom" } "beta" { "source-value" 116.79936651 "source-unit" "degree" } }