{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbnm" } "basis-atom-coordinates" { "source-value" [ [ 0.977767 0.426628 0.75 ] [ 0.522233 0.926628 0.75 ] [ 0.477767 0.073372 0.25 ] [ 0.022233 0.573372 0.25 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0.134742 0.057049 0.75 ] [ 0.183373 0.308245 0.063146 ] [ 0.183373 0.308245 0.436854 ] [ 0.316627 0.808245 0.436854 ] [ 0.316627 0.808245 0.063146 ] [ 0.365258 0.557049 0.75 ] [ 0.634742 0.442951 0.25 ] [ 0.683373 0.191755 0.936854 ] [ 0.683373 0.191755 0.563146 ] [ 0.816627 0.691755 0.563146 ] [ 0.816627 0.691755 0.936854 ] [ 0.865258 0.942951 0.25 ] ] } "species" { "source-value" [ "Lu" "Lu" "Lu" "Lu" "Ti" "Ti" "Ti" "Ti" "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" 5.26457258 "source-unit" "angstrom" } "b" { "source-value" 5.64799696 "source-unit" "angstrom" } "c" { "source-value" 7.62027059 "source-unit" "angstrom" } }