{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/mbm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0 ] [ 0 0 0 ] [ 0.186488 0.686488 0.5 ] [ 0.813512 0.313512 0.5 ] [ 0.686488 0.813512 0.5 ] [ 0.313512 0.186488 0.5 ] [ 0.5 0.5 0.5 ] [ 0 0 0.5 ] [ 0.598712 0.098712 0.810088 ] [ 0.401288 0.901288 0.810088 ] [ 0.098712 0.401288 0.810088 ] [ 0.901288 0.598712 0.810088 ] [ 0.401288 0.901288 0.189912 ] [ 0.598712 0.098712 0.189912 ] [ 0.901288 0.598712 0.189912 ] [ 0.098712 0.401288 0.189912 ] [ 0.5 0 0 ] [ 0 0.5 0 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "Pt" "Pt" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.39819757 "source-unit" "angstrom" } "c" { "source-value" 6.20662471 "source-unit" "angstrom" } }