{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-42_1m" } "basis-atom-coordinates" { "source-value" [ [ 0.660886 0.839114 0.501466 ] [ 0.160886 0.660886 0.498534 ] [ 0.839114 0.339114 0.498534 ] [ 0.339114 0.160886 0.501466 ] [ 0.36693 0.86693 0.037811 ] [ 0.86693 0.63307 0.962189 ] [ 0.63307 0.13307 0.037811 ] [ 0.13307 0.36693 0.962189 ] [ 0.5 0.5 0 ] [ 0 0 0 ] [ 0.921816 0.826194 0.80128 ] [ 0.173806 0.921816 0.19872 ] [ 0.578184 0.326194 0.19872 ] [ 0.421816 0.673806 0.19872 ] [ 0.326194 0.421816 0.80128 ] [ 0.673806 0.578184 0.80128 ] [ 0 0.5 0.833766 ] [ 0.5 0 0.166234 ] [ 0.142613 0.357387 0.280903 ] [ 0.642613 0.142613 0.719097 ] [ 0.357387 0.857387 0.719097 ] [ 0.857387 0.642613 0.280903 ] [ 0.078184 0.173806 0.80128 ] [ 0.826194 0.078184 0.19872 ] ] } "species" { "source-value" [ "La" "La" "La" "La" "Be" "Be" "Be" "Be" "Ge" "Ge" "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" 7.7254823 "source-unit" "angstrom" } "c" { "source-value" 4.99174909 "source-unit" "angstrom" } }