{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbcm" } "basis-atom-coordinates" { "source-value" [ [ 0.480695 0.197344 0.25 ] [ 0.480695 0.302656 0.75 ] [ 0.519305 0.697344 0.25 ] [ 0.519305 0.802656 0.75 ] [ 0 0 0 ] [ 0 0.5 0 ] [ 0 0.5 0.5 ] [ 0 0 0.5 ] [ 0.133588 0.966196 0.75 ] [ 0.133588 0.533804 0.25 ] [ 0.866412 0.466196 0.75 ] [ 0.866412 0.033804 0.25 ] [ 0.167382 0.25 0.5 ] [ 0.832618 0.75 0 ] [ 0.832618 0.75 0.5 ] [ 0.167382 0.25 0 ] [ 0.30173 0.919498 0.079588 ] [ 0.30173 0.580502 0.920412 ] [ 0.69827 0.419498 0.420412 ] [ 0.69827 0.080502 0.579588 ] [ 0.69827 0.080502 0.920412 ] [ 0.69827 0.419498 0.079588 ] [ 0.30173 0.580502 0.579588 ] [ 0.30173 0.919498 0.420412 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "U" "U" "U" "U" "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" 5.59088703 "source-unit" "angstrom" } "b" { "source-value" 8.03664236 "source-unit" "angstrom" } "c" { "source-value" 8.18862337 "source-unit" "angstrom" } }