{ "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" [ [ 0.182797 0.682797 0 ] [ 0.682797 0.817203 0 ] [ 0.317203 0.182797 0 ] [ 0.817203 0.317203 0 ] [ 0.325061 0.461184 0.5 ] [ 0.674939 0.538816 0.5 ] [ 0.538816 0.325061 0.5 ] [ 0.461184 0.674939 0.5 ] [ 0 0 0.204089 ] [ 0.5 0.5 0.795911 ] [ 0 0 0.795911 ] [ 0.5 0.5 0.204089 ] [ 0.587639 0.087639 0.5 ] [ 0.087639 0.412361 0.5 ] [ 0.912361 0.587639 0.5 ] [ 0.412361 0.912361 0.5 ] [ 0.038816 0.174939 0.5 ] [ 0.174939 0.961184 0.5 ] [ 0.825061 0.038816 0.5 ] [ 0.961184 0.825061 0.5 ] ] } "species" { "source-value" [ "Sm" "Sm" "Sm" "Sm" "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" 7.18655747 "source-unit" "angstrom" } "c" { "source-value" 4.08152117 "source-unit" "angstrom" } }