{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4_1/amd" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0 0.875 ] [ 0.75 0 0.125 ] [ 0.75 0.5 0.375 ] [ 0.25 0.5 0.625 ] [ 0.25 0.5 0.125 ] [ 0.75 0.5 0.875 ] [ 0.75 0 0.625 ] [ 0.25 0 0.375 ] [ 0.25 0.181863 0.553235 ] [ 0.068137 0.5 0.303235 ] [ 0.931863 0 0.803235 ] [ 0.75 0.318137 0.053235 ] [ 0.931863 0.5 0.696765 ] [ 0.75 0.818137 0.446765 ] [ 0.25 0.681863 0.946765 ] [ 0.068137 0 0.196765 ] [ 0.75 0.681863 0.053235 ] [ 0.568137 0 0.803235 ] [ 0.431863 0.5 0.303235 ] [ 0.25 0.818137 0.553235 ] [ 0.431863 0 0.196765 ] [ 0.25 0.318137 0.946765 ] [ 0.75 0.181863 0.446765 ] [ 0.568137 0.5 0.696765 ] ] } "species" { "source-value" [ "Ho" "Ho" "Ho" "Ho" "As" "As" "As" "As" "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" 7.12373986593 "source-unit" "angstrom" } "c" { "source-value" 6.34249626451 "source-unit" "angstrom" } }