{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4_1/a" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0.75 ] [ 0 0 0 ] [ 0 0.5 0.25 ] [ 0.5 0.5 0.5 ] [ 0.75 0.5 0.875 ] [ 0.5 0.75 0.125 ] [ 0.5 0.25 0.125 ] [ 0.25 0.5 0.875 ] [ 0.25 0 0.375 ] [ 0 0.25 0.625 ] [ 0 0.75 0.625 ] [ 0.75 0 0.375 ] [ 0.152398 0.79559 0.798694 ] [ 0.79559 0.347602 0.048694 ] [ 0.20441 0.652398 0.048694 ] [ 0.847602 0.20441 0.798694 ] [ 0.347602 0.20441 0.951306 ] [ 0.70441 0.652398 0.701306 ] [ 0.652398 0.79559 0.951306 ] [ 0.29559 0.347602 0.701306 ] [ 0.652398 0.29559 0.298694 ] [ 0.29559 0.847602 0.548694 ] [ 0.70441 0.152398 0.548694 ] [ 0.347602 0.70441 0.298694 ] [ 0.847602 0.70441 0.451306 ] [ 0.20441 0.152398 0.201306 ] [ 0.152398 0.29559 0.451306 ] [ 0.79559 0.847602 0.201306 ] ] } "species" { "source-value" [ "La" "La" "La" "La" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.99836443 "source-unit" "angstrom" } "c" { "source-value" 10.39310203 "source-unit" "angstrom" } }