{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/nmm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0 ] [ 0 0.5 0.103891 ] [ 0.25 0.75 0.5 ] [ 0.25 0.25 0.5 ] [ 0.5 0 0.896109 ] [ 0.75 0.25 0.5 ] [ 0.75 0.75 0.5 ] [ 0.5 0 0.372392 ] [ 0 0.5 0.627608 ] [ 0 0.818764 0.186251 ] [ 0.681236 0.5 0.186251 ] [ 0 0.181236 0.186251 ] [ 0.318764 0.5 0.186251 ] [ 0.181236 0 0.813749 ] [ 0.5 0.681236 0.813749 ] [ 0.5 0.318764 0.813749 ] [ 0.818764 0 0.813749 ] ] } "species" { "source-value" [ "Cr" "Cr" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Cl" "Cl" "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" 7.47563392 "source-unit" "angstrom" } "c" { "source-value" 5.37069704 "source-unit" "angstrom" } }