{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4/mcm" } "basis-atom-coordinates" { "source-value" [ [ 0.781453 0.098478 0 ] [ 0.218547 0.901522 0 ] [ 0.406601 0.093399 0 ] [ 0.593399 0.093399 0.5 ] [ 0.218547 0.098478 0.5 ] [ 0.098478 0.781453 0.5 ] [ 0.901522 0.781453 0 ] [ 0.093399 0.406601 0.5 ] [ 0.781453 0.901522 0.5 ] [ 0.098478 0.218547 0 ] [ 0.906601 0.406601 0 ] [ 0.901522 0.218547 0.5 ] [ 0.281453 0.598478 0.5 ] [ 0.718547 0.401522 0.5 ] [ 0.906601 0.593399 0.5 ] [ 0.093399 0.593399 0 ] [ 0.718547 0.598478 0 ] [ 0.598478 0.281453 0 ] [ 0.401522 0.281453 0.5 ] [ 0.593399 0.906601 0 ] [ 0.281453 0.401522 0 ] [ 0.598478 0.718547 0.5 ] [ 0.406601 0.906601 0.5 ] [ 0.401522 0.718547 0 ] [ 0 0 0.25 ] [ 0 0 0.75 ] [ 0.5 0.5 0.75 ] [ 0.5 0.5 0.25 ] ] } "species" { "source-value" [ "U" "U" "U" "U" "U" "U" "U" "U" "U" "U" "U" "U" "U" "U" "U" "U" "U" "U" "U" "U" "U" "U" "U" "U" "Mn" "Mn" "Mn" "Mn" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 10.1367394022 "source-unit" "angstrom" } "c" { "source-value" 5.29465269776 "source-unit" "angstrom" } }