{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmcm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.31612 0.25 ] [ 0 0.68388 0.75 ] [ 0.5 0.81612 0.25 ] [ 0.5 0.18388 0.75 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0 0.338945 0.75 ] [ 0 0.661055 0.25 ] [ 0.5 0.838945 0.75 ] [ 0.5 0.161055 0.25 ] [ 0 0.224976 0.556245 ] [ 0 0.224976 0.943755 ] [ 0.25091 0.954886 0.75 ] [ 0.25091 0.045114 0.25 ] [ 0.74909 0.954886 0.75 ] [ 0.74909 0.045114 0.25 ] [ 0 0.775024 0.056245 ] [ 0 0.775024 0.443755 ] [ 0.5 0.724976 0.556245 ] [ 0.5 0.724976 0.943755 ] [ 0.75091 0.454886 0.75 ] [ 0.75091 0.545114 0.25 ] [ 0.24909 0.454886 0.75 ] [ 0.24909 0.545114 0.25 ] [ 0.5 0.275024 0.056245 ] [ 0.5 0.275024 0.443755 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "V" "V" "V" "V" "Si" "Si" "Si" "Si" "O" "O" "O" "O" "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" 5.42624791 "source-unit" "angstrom" } "b" { "source-value" 8.53264774 "source-unit" "angstrom" } "c" { "source-value" 6.7232634 "source-unit" "angstrom" } }