{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4_2/mnm" } "basis-atom-coordinates" { "source-value" [ [ 0.619355 0.122485 0 ] [ 0.171819 0.171819 0 ] [ 0.288876 0.469741 0 ] [ 0.711124 0.530259 0 ] [ 0.671819 0.328181 0.5 ] [ 0.119355 0.377515 0.5 ] [ 0.880645 0.622485 0.5 ] [ 0.380645 0.877515 0 ] [ 0.969741 0.211124 0.5 ] [ 0.030259 0.788876 0.5 ] [ 0.828181 0.828181 0 ] [ 0.469741 0.288876 0 ] [ 0.211124 0.969741 0.5 ] [ 0.622485 0.880645 0.5 ] [ 0.377515 0.119355 0.5 ] [ 0 0 0 ] [ 0.122485 0.619355 0 ] [ 0.530259 0.711124 0 ] [ 0.877515 0.380645 0 ] [ 0.788876 0.030259 0.5 ] [ 0.5 0.5 0.5 ] [ 0.328181 0.671819 0.5 ] [ 0.913334 0.913334 0.5 ] [ 0.703483 0.703483 0 ] [ 0.192459 0.531766 0.5 ] [ 0.468234 0.807541 0.5 ] [ 0.796517 0.203483 0.5 ] [ 0.413334 0.586666 0 ] [ 0.031766 0.307541 0 ] [ 0.203483 0.796517 0.5 ] [ 0.086666 0.086666 0.5 ] [ 0.586666 0.413334 0 ] [ 0.307541 0.031766 0 ] [ 0.692459 0.968234 0 ] [ 0.296517 0.296517 0 ] [ 0.968234 0.692459 0 ] [ 0.807541 0.468234 0.5 ] [ 0.531766 0.192459 0.5 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 13.94902206 "source-unit" "angstrom" } "c" { "source-value" 3.65894494 "source-unit" "angstrom" } }