{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4_2/nmc" } "basis-atom-coordinates" { "source-value" [ [ 0.225136 0.5 0.190916 ] [ 0 0.725136 0.690916 ] [ 0 0.274864 0.690916 ] [ 0.774864 0.5 0.190916 ] [ 0.725136 0 0.309084 ] [ 0.5 0.225136 0.809084 ] [ 0.5 0.774864 0.809084 ] [ 0.274864 0 0.309084 ] [ 0 0.5 0.398264 ] [ 0 0.5 0.898264 ] [ 0.5 0 0.601736 ] [ 0.5 0 0.101736 ] [ 0.204043 0.204043 0 ] [ 0.204043 0.795957 0 ] [ 0.795957 0.204043 0 ] [ 0.795957 0.795957 0 ] [ 0.704043 0.704043 0.5 ] [ 0.704043 0.295957 0.5 ] [ 0.295957 0.704043 0.5 ] [ 0.295957 0.295957 0.5 ] ] } "species" { "source-value" [ "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "O" "O" "O" "O" "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" 8.04110215 "source-unit" "angstrom" } "c" { "source-value" 5.64574046 "source-unit" "angstrom" } }