{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-tetragonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "I4/m" } "basis-atom-coordinates" { "source-value" [ [ 0.077628 0.303965 0.5 ] [ 0.303965 0.922372 0.5 ] [ 0.696035 0.077628 0.5 ] [ 0.922372 0.696035 0.5 ] [ 0 0 0 ] [ 0.577628 0.803965 0 ] [ 0.803965 0.422372 0 ] [ 0.196035 0.577628 0 ] [ 0.422372 0.196035 0 ] [ 0.5 0.5 0.5 ] [ 0.121692 0.82551 0.250106 ] [ 0.878308 0.17449 0.250106 ] [ 0.82551 0.878308 0.250106 ] [ 0.82551 0.878308 0.749894 ] [ 0.878308 0.17449 0.749894 ] [ 0.121692 0.82551 0.749894 ] [ 0.17449 0.121692 0.749894 ] [ 0.17449 0.121692 0.250106 ] [ 0.94419 0.63292 0 ] [ 0.63292 0.05581 0 ] [ 0.36708 0.94419 0 ] [ 0.05581 0.36708 0 ] [ 0.621692 0.32551 0.750106 ] [ 0.378308 0.67449 0.750106 ] [ 0.32551 0.378308 0.750106 ] [ 0.32551 0.378308 0.249894 ] [ 0.378308 0.67449 0.249894 ] [ 0.621692 0.32551 0.249894 ] [ 0.67449 0.621692 0.249894 ] [ 0.67449 0.621692 0.750106 ] [ 0.44419 0.13292 0.5 ] [ 0.13292 0.55581 0.5 ] [ 0.86708 0.44419 0.5 ] [ 0.55581 0.86708 0.5 ] ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.6030549665 "source-unit" "angstrom" } "c" { "source-value" 5.58278593705 "source-unit" "angstrom" } }