{ "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" [ [ 0.643384 0.872812 0.385359 ] [ 0.356616 0.127188 0.885359 ] [ 0.872812 0.643384 0.614641 ] [ 0.372812 0.856616 0.135359 ] [ 0.627188 0.143384 0.635359 ] [ 0.856616 0.372812 0.864641 ] [ 0.143384 0.627188 0.364641 ] [ 0.127188 0.356616 0.114641 ] [ 0.648568 0.399351 0.382818 ] [ 0.351432 0.600649 0.882818 ] [ 0.399351 0.648568 0.617182 ] [ 0.899351 0.851432 0.132818 ] [ 0.100649 0.148568 0.632818 ] [ 0.851432 0.899351 0.867182 ] [ 0.148568 0.100649 0.367182 ] [ 0.600649 0.351432 0.117182 ] [ 0.303935 0.696065 0.75 ] [ 0.803935 0.803935 0 ] [ 0.196065 0.196065 0.5 ] [ 0.696065 0.303935 0.25 ] [ 0.462633 0.58061 0.379333 ] [ 0.537367 0.41939 0.879333 ] [ 0.58061 0.462633 0.620667 ] [ 0.08061 0.037367 0.129333 ] [ 0.91939 0.962633 0.629333 ] [ 0.037367 0.08061 0.870667 ] [ 0.962633 0.91939 0.370667 ] [ 0.41939 0.537367 0.120667 ] [ 0.337876 0.933288 0.320156 ] [ 0.662124 0.066712 0.820156 ] [ 0.933288 0.337876 0.679844 ] [ 0.433288 0.162124 0.070156 ] [ 0.823527 0.357556 0.043538 ] [ 0.142444 0.323527 0.293538 ] [ 0.857556 0.676473 0.793538 ] [ 0.323527 0.142444 0.706462 ] [ 0.676473 0.857556 0.206462 ] [ 0.176473 0.642444 0.543538 ] [ 0.357556 0.823527 0.956462 ] [ 0.642444 0.176473 0.456462 ] [ 0.066712 0.662124 0.179844 ] [ 0.837876 0.566712 0.429844 ] [ 0.162124 0.433288 0.929844 ] [ 0.566712 0.837876 0.570156 ] ] } "species" { "source-value" [ "Lu" "Lu" "Lu" "Lu" "Lu" "Lu" "Lu" "Lu" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "O" "O" "O" "O" "O" "O" "O" "O" "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" 6.76063948 "source-unit" "angstrom" } "c" { "source-value" 12.29553165 "source-unit" "angstrom" } }