{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnmn" } "basis-atom-coordinates" { "source-value" [ [ 0.7579 0.241558 0.127793 ] [ 0.2421 0.758442 0.872207 ] [ 0.2421 0.241558 0.872207 ] [ 0.7421 0.258442 0.627793 ] [ 0.7421 0.741558 0.627793 ] [ 0.2579 0.741558 0.372207 ] [ 0.2579 0.258442 0.372207 ] [ 0.7579 0.758442 0.127793 ] [ 0.252459 0 0.122033 ] [ 0.230227 0.5 0.133471 ] [ 0.747541 0 0.877967 ] [ 0.769773 0.5 0.866529 ] [ 0.247541 0.5 0.622033 ] [ 0.269773 0 0.633471 ] [ 0.730227 0 0.366529 ] [ 0.752459 0.5 0.377967 ] [ 0.269783 0.738328 0.112856 ] [ 0 0.5 0 ] [ 0.730217 0.738328 0.887144 ] [ 0 0 0 ] [ 0.987581 0 0.742718 ] [ 0.5 0 0 ] [ 0.501378 0 0.755362 ] [ 0.730217 0.261672 0.887144 ] [ 0.230217 0.238328 0.612856 ] [ 0.487581 0.5 0.757282 ] [ 0.001378 0.5 0.744638 ] [ 0.5 0.5 0.5 ] [ 0 0.5 0.5 ] [ 0.230217 0.761672 0.612856 ] [ 0.769783 0.761672 0.387144 ] [ 0.012419 0 0.257282 ] [ 0.5 0 0.5 ] [ 0.498622 0 0.244638 ] [ 0.769783 0.238328 0.387144 ] [ 0.512419 0.5 0.242718 ] [ 0.269783 0.261672 0.112856 ] [ 0.998622 0.5 0.255362 ] ] } "species" { "source-value" [ "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Sr" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "O" "O" "O" "O" "O" "O" "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" 5.59350437 "source-unit" "angstrom" } "b" { "source-value" 7.86015164 "source-unit" "angstrom" } "c" { "source-value" 11.13613664 "source-unit" "angstrom" } }