{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I-42d" } "basis-atom-coordinates" { "source-value" [ [ 0.630382 0.25 0.875 ] [ 0.75 0.630382 0.125 ] [ 0.869618 0.25 0.375 ] [ 0.75 0.869618 0.625 ] [ 0.130382 0.75 0.375 ] [ 0.25 0.130382 0.625 ] [ 0.369618 0.75 0.875 ] [ 0.25 0.369618 0.125 ] [ 0.5 0 0.25 ] [ 0 0 0 ] [ 0 0.5 0.75 ] [ 0.5 0.5 0.5 ] [ 0.925525 0.327493 0.060245 ] [ 0.672507 0.925525 0.939755 ] [ 0.327493 0.074475 0.939755 ] [ 0.327493 0.425525 0.810245 ] [ 0.925525 0.172507 0.689755 ] [ 0.074475 0.827493 0.689755 ] [ 0.574475 0.172507 0.560245 ] [ 0.172507 0.074475 0.310245 ] [ 0.425525 0.827493 0.560245 ] [ 0.172507 0.425525 0.439755 ] [ 0.827493 0.574475 0.439755 ] [ 0.827493 0.925525 0.310245 ] [ 0.425525 0.672507 0.189755 ] [ 0.574475 0.327493 0.189755 ] [ 0.074475 0.672507 0.060245 ] [ 0.672507 0.574475 0.810245 ] ] } "species" { "source-value" [ "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Sm" "Pb" "Pb" "Pb" "Pb" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.01204832 "source-unit" "angstrom" } "c" { "source-value" 8.99557621 "source-unit" "angstrom" } }