{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4/mmm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0.5 0.901332 ] [ 0.5 0.5 0.098668 ] [ 0 0 0.401332 ] [ 0 0 0.598668 ] ] } "species" { "source-value" [ "La" "La" "C" "C" "C" "C" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.94856962655 "source-unit" "angstrom" } "c" { "source-value" 6.57517125619 "source-unit" "angstrom" } }