{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4_2/mnm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0.25 ] [ 0.5 0 0.75 ] [ 0 0.5 0.25 ] [ 0 0.5 0.75 ] [ 0.349572 0.349572 0 ] [ 0.849572 0.150428 0.5 ] [ 0.150428 0.849572 0.5 ] [ 0.650428 0.650428 0 ] [ 0.797463 0.202537 0 ] [ 0.702537 0.702537 0.5 ] [ 0.297463 0.297463 0.5 ] [ 0.202537 0.797463 0 ] [ 0.119793 0.119793 0.197588 ] [ 0.619793 0.380207 0.697588 ] [ 0.380207 0.619793 0.697588 ] [ 0.880207 0.880207 0.197588 ] [ 0.380207 0.619793 0.302412 ] [ 0.619793 0.380207 0.302412 ] [ 0.119793 0.119793 0.802412 ] [ 0.880207 0.880207 0.802412 ] ] } "species" { "source-value" [ "Lu" "Lu" "Lu" "Lu" "Lu" "Lu" "Lu" "Lu" "Lu" "Lu" "Lu" "Lu" "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.05501192 "source-unit" "angstrom" } "c" { "source-value" 7.44594733 "source-unit" "angstrom" } }