{ "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" [ [ 0.755446 0.749757 0.75 ] [ 0.755446 0.250243 0.25 ] [ 0.244554 0.250243 0.25 ] [ 0.244554 0.749757 0.75 ] [ 0.255446 0.249757 0.75 ] [ 0.255446 0.750243 0.25 ] [ 0.744554 0.750243 0.25 ] [ 0.744554 0.249757 0.75 ] [ 0 0 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0 0.781247 0.492425 ] [ 0 0.781247 0.007575 ] [ 0.219148 0 0 ] [ 0.780852 0 0.5 ] [ 0.780852 0 0 ] [ 0 0.218753 0.507575 ] [ 0 0.218753 0.992425 ] [ 0.219148 0 0.5 ] [ 0.5 0.281247 0.492425 ] [ 0.5 0.281247 0.007575 ] [ 0.719148 0.5 0 ] [ 0.280852 0.5 0.5 ] [ 0.280852 0.5 0 ] [ 0.5 0.718753 0.507575 ] [ 0.5 0.718753 0.992425 ] [ 0.719148 0.5 0.5 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Pt" "Pt" "Pt" "Pt" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 10.6388001371 "source-unit" "angstrom" } "b" { "source-value" 10.6505309426 "source-unit" "angstrom" } "c" { "source-value" 9.64487109 "source-unit" "angstrom" } }