{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P4/nmm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.5 0.5 ] [ 0 0 0.5 ] [ 0.5 0.5 0 ] [ 0 0 0 ] [ 0.5 0 0.255204 ] [ 0 0.5 0.744796 ] [ 0.5 0 0.743055 ] [ 0 0.5 0.256945 ] [ 0.743454 0.756546 0.770423 ] [ 0.756546 0.743454 0.229577 ] [ 0.5 0 0.99646 ] [ 0.743454 0.243454 0.770423 ] [ 0.5 0 0.509926 ] [ 0 0.5 0.00354 ] [ 0.756546 0.256546 0.229577 ] [ 0.256546 0.756546 0.770423 ] [ 0 0.5 0.490074 ] [ 0.256546 0.243454 0.770423 ] [ 0.243454 0.256546 0.229577 ] [ 0.243454 0.743454 0.229577 ] ] } "species" { "source-value" [ "Na" "Na" "La" "La" "Mg" "Mg" "W" "W" "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" 5.60353173312 "source-unit" "angstrom" } "c" { "source-value" 8.01979937716 "source-unit" "angstrom" } }