{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4/mmm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.17692 ] [ 0 0 0.82308 ] [ 0.5 0.5 0 ] [ 0.5 0.5 0.67692 ] [ 0.5 0.5 0.32308 ] [ 0 0 0.5 ] [ 0.5 0.5 0.876396 ] [ 0.5 0.5 0.123604 ] [ 0 0 0.376396 ] [ 0 0 0.623604 ] [ 0.5 0.5 0.191951 ] [ 0 0.5 0.10997 ] [ 0.5 0 0.89003 ] [ 0 0.5 0.89003 ] [ 0.5 0.5 0.808049 ] [ 0 0 0 ] [ 0.5 0 0.10997 ] [ 0 0 0.691951 ] [ 0.5 0 0.60997 ] [ 0 0.5 0.39003 ] [ 0.5 0 0.39003 ] [ 0 0 0.308049 ] [ 0.5 0.5 0.5 ] [ 0 0.5 0.60997 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Mn" "Mn" "Mn" "Mn" "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" 4.84951755421 "source-unit" "angstrom" } "c" { "source-value" 35.4784781395 "source-unit" "angstrom" } }