{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4_1/amd" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0 0.125 ] [ 0.25 0 0.875 ] [ 0.25 0.5 0.625 ] [ 0.75 0.5 0.375 ] [ 0.75 0.811293 0.439595 ] [ 0.938707 0.5 0.689595 ] [ 0.061293 0.5 0.310405 ] [ 0.25 0.188707 0.560405 ] [ 0.75 0.311293 0.060405 ] [ 0.938707 0 0.810405 ] [ 0.25 0.688707 0.939595 ] [ 0.061293 0 0.189595 ] [ 0.25 0.311293 0.939595 ] [ 0.438707 0 0.189595 ] [ 0.561293 0 0.810405 ] [ 0.75 0.688707 0.060405 ] [ 0.25 0.811293 0.560405 ] [ 0.438707 0.5 0.310405 ] [ 0.75 0.188707 0.439595 ] [ 0.561293 0.5 0.689595 ] ] } "species" { "source-value" [ "Np" "Np" "Np" "Np" "Cl" "Cl" "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" 8.31719667444 "source-unit" "angstrom" } "c" { "source-value" 7.76742530938 "source-unit" "angstrom" } }