{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/mbm" } "basis-atom-coordinates" { "source-value" [ [ 0.183955 0.683955 0 ] [ 0.683955 0.816045 0 ] [ 0.316045 0.183955 0 ] [ 0.816045 0.316045 0 ] [ 0.326478 0.460902 0.5 ] [ 0.673522 0.539098 0.5 ] [ 0.539098 0.326478 0.5 ] [ 0.460902 0.673522 0.5 ] [ 0 0 0.205832 ] [ 0.5 0.5 0.794168 ] [ 0 0 0.794168 ] [ 0.5 0.5 0.205832 ] [ 0.588866 0.088866 0.5 ] [ 0.088866 0.411134 0.5 ] [ 0.911134 0.588866 0.5 ] [ 0.411134 0.911134 0.5 ] [ 0.039098 0.173522 0.5 ] [ 0.173522 0.960902 0.5 ] [ 0.826478 0.039098 0.5 ] [ 0.960902 0.826478 0.5 ] ] } "species" { "source-value" [ "La" "La" "La" "La" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.31065593 "source-unit" "angstrom" } "c" { "source-value" 4.18269541 "source-unit" "angstrom" } }