{ "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 0.5 0 ] [ 0.5 0 0 ] [ 0.5 0 0.5 ] [ 0 0.5 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.237258 0.762742 0.122587 ] [ 0.762742 0.237258 0.122587 ] [ 0.237258 0.237258 0.877413 ] [ 0.762742 0.762742 0.877413 ] [ 0.737258 0.262742 0.622587 ] [ 0.262742 0.737258 0.622587 ] [ 0.737258 0.737258 0.377413 ] [ 0.262742 0.262742 0.377413 ] ] } "species" { "source-value" [ "Cu" "Cu" "Cu" "Cu" "W" "W" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.45701930302 "source-unit" "angstrom" } "c" { "source-value" 10.6159689252 "source-unit" "angstrom" } }