{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnma" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.977845 0.594598 ] [ 0.75 0.826848 0.99986 ] [ 0.25 0.789952 0.79127 ] [ 0.75 0.710048 0.29127 ] [ 0.25 0.673152 0.49986 ] [ 0.25 0.522155 0.094598 ] [ 0.75 0.477845 0.905402 ] [ 0.75 0.326848 0.50014 ] [ 0.25 0.289952 0.70873 ] [ 0.75 0.210048 0.20873 ] [ 0.25 0.173152 0.00014 ] [ 0.25 0.022155 0.405402 ] [ 0.25 0.920801 0.174012 ] [ 0.75 0.579199 0.674012 ] [ 0.25 0.420801 0.325988 ] [ 0.75 0.079199 0.825988 ] [ 0.75 0.831202 0.438951 ] [ 0.25 0.668798 0.938951 ] [ 0.75 0.331202 0.061049 ] [ 0.25 0.168798 0.561049 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Cl" "Cl" "Cl" "Cl" "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" 4.3559937 "source-unit" "angstrom" } "b" { "source-value" 9.06987468 "source-unit" "angstrom" } "c" { "source-value" 15.94175171 "source-unit" "angstrom" } }