{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4_12_12" } "basis-atom-coordinates" { "source-value" [ [ 0.597352 0.597352 0.5 ] [ 0.216044 0.216044 0.5 ] [ 0.783956 0.783956 0 ] [ 0.716044 0.283956 0.75 ] [ 0.902648 0.097353 0.25 ] [ 0.402647 0.402647 0 ] [ 0.283956 0.716044 0.25 ] [ 0.097353 0.902648 0.75 ] [ 0.753756 0.975898 0.076929 ] [ 0.246244 0.024102 0.576929 ] [ 0.345826 0.23447 0.230036 ] [ 0.443432 0.556568 0.75 ] [ 0.943432 0.943432 0.5 ] [ 0.76553 0.654174 0.269964 ] [ 0.556568 0.443432 0.25 ] [ 0.475898 0.746244 0.326929 ] [ 0.26553 0.845826 0.980036 ] [ 0.73447 0.154174 0.480036 ] [ 0.746244 0.475898 0.673071 ] [ 0.056568 0.056568 0 ] [ 0.23447 0.345826 0.769964 ] [ 0.845826 0.26553 0.019964 ] [ 0.024102 0.246244 0.423071 ] [ 0.654174 0.76553 0.730036 ] [ 0.154174 0.73447 0.519964 ] [ 0.524102 0.253756 0.826929 ] [ 0.253756 0.524102 0.173071 ] [ 0.975898 0.753756 0.923071 ] ] } "species" { "source-value" [ "As" "As" "As" "As" "As" "As" "As" "As" "O" "O" "O" "O" "O" "O" "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" 8.76446394 "source-unit" "angstrom" } "c" { "source-value" 4.71234692 "source-unit" "angstrom" } }