{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.187511 0.653 0.784124 ] [ 0.812489 0.153 0.715876 ] [ 0.812489 0.347 0.215876 ] [ 0.187511 0.847 0.284124 ] [ 0.690903 0.661549 0.801786 ] [ 0.309097 0.161549 0.698214 ] [ 0.309097 0.338451 0.198214 ] [ 0.690903 0.838451 0.301786 ] [ 0.173618 0.997061 0.747613 ] [ 0.826382 0.497061 0.752387 ] [ 0.826382 0.002939 0.252387 ] [ 0.173618 0.502939 0.247613 ] [ 0.39889 0.712685 0.619214 ] [ 0.60111 0.212685 0.880786 ] [ 0.60111 0.287315 0.380786 ] [ 0.39889 0.787315 0.119214 ] [ 0.892372 0.66058 0.388506 ] [ 0.107628 0.16058 0.111494 ] [ 0.107628 0.33942 0.611494 ] [ 0.892372 0.83942 0.888506 ] [ 0.651889 0.896442 0.477454 ] [ 0.348111 0.396442 0.022546 ] [ 0.348111 0.103558 0.522546 ] [ 0.651889 0.603558 0.977454 ] ] } "species" { "source-value" [ "Th" "Th" "Th" "Th" "Si" "Si" "Si" "Si" "O" "O" "O" "O" "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" 6.55619546 "source-unit" "angstrom" } "b" { "source-value" 7.02545435 "source-unit" "angstrom" } "c" { "source-value" 8.14291163 "source-unit" "angstrom" } "beta" { "source-value" 125.72117122 "source-unit" "degree" } }