{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmce" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.14299 0 ] [ 0 0.85701 0.5 ] [ 0.5 0.85701 0 ] [ 0 0.14299 0.5 ] [ 0 0.64299 0 ] [ 0.5 0.35701 0.5 ] [ 0 0.35701 0 ] [ 0.5 0.64299 0.5 ] [ 0 0 0 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] [ 0 0.5 0.5 ] [ 0 0.849697 0 ] [ 0.5 0.150303 0.5 ] [ 0 0.150303 0 ] [ 0.5 0.849697 0.5 ] [ 0.236751 0 0.773432 ] [ 0.736751 0 0.726568 ] [ 0.263249 0 0.273432 ] [ 0.763249 0 0.226568 ] [ 0.5 0.349697 0 ] [ 0 0.650303 0.5 ] [ 0.5 0.650303 0 ] [ 0 0.349697 0.5 ] [ 0.736751 0.5 0.773432 ] [ 0.236751 0.5 0.726568 ] [ 0.763249 0.5 0.273432 ] [ 0.263249 0.5 0.226568 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Ag" "Ag" "Ag" "Ag" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.57662998116 "source-unit" "angstrom" } "b" { "source-value" 14.5105873541 "source-unit" "angstrom" } "c" { "source-value" 6.58087245 "source-unit" "angstrom" } }