{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I-42m" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0 0.5 0.75 ] [ 0.5 0 0.75 ] [ 0.5 0 0.25 ] [ 0 0.5 0.25 ] [ 0.726624 0.726624 0.888226 ] [ 0.273376 0.726624 0.111774 ] [ 0.273376 0.273376 0.888226 ] [ 0.726624 0.273376 0.111774 ] [ 0.226624 0.226624 0.388226 ] [ 0.773376 0.226624 0.611774 ] [ 0.773376 0.773376 0.388226 ] [ 0.226624 0.773376 0.611774 ] ] } "species" { "source-value" [ "Mg" "Mg" "In" "In" "In" "In" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.33927993186 "source-unit" "angstrom" } "c" { "source-value" 12.7216236175 "source-unit" "angstrom" } }