{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnam" } "basis-atom-coordinates" { "source-value" [ [ 0.4928 0.998942 0.75 ] [ 0.5072 0.001058 0.25 ] [ 0.9928 0.501058 0.75 ] [ 0.0072 0.498942 0.25 ] [ 0 0 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0.737891 0.76211 0.518099 ] [ 0.262109 0.23789 0.018099 ] [ 0.998764 0.964568 0.25 ] [ 0.762109 0.26211 0.481901 ] [ 0.001236 0.035432 0.75 ] [ 0.501236 0.464568 0.75 ] [ 0.762109 0.26211 0.018099 ] [ 0.498764 0.535432 0.25 ] [ 0.262109 0.23789 0.481901 ] [ 0.237891 0.73789 0.518099 ] [ 0.737891 0.76211 0.981901 ] [ 0.237891 0.73789 0.981901 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Si" "Si" "Si" "Si" "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" 5.10169447 "source-unit" "angstrom" } "b" { "source-value" 5.11574865 "source-unit" "angstrom" } "c" { "source-value" 7.20644693 "source-unit" "angstrom" } }