{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbnm" } "basis-atom-coordinates" { "source-value" [ [ 0.483889 0.437177 0.75 ] [ 0.983889 0.062823 0.25 ] [ 0.016111 0.937177 0.75 ] [ 0.516111 0.562823 0.25 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0 0 ] [ 0 0.5 0 ] [ 0.697416 0.30144 0.446574 ] [ 0.197416 0.19856 0.553426 ] [ 0.802584 0.80144 0.053426 ] [ 0.302584 0.69856 0.946574 ] [ 0.302584 0.69856 0.553426 ] [ 0.802584 0.80144 0.446574 ] [ 0.197416 0.19856 0.946574 ] [ 0.697416 0.30144 0.053426 ] [ 0.102427 0.466168 0.25 ] [ 0.602428 0.033832 0.75 ] [ 0.897572 0.533832 0.75 ] [ 0.397572 0.966168 0.25 ] ] } "species" { "source-value" [ "Sm" "Sm" "Sm" "Sm" "Fe" "Fe" "Fe" "Fe" "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" 5.43551567 "source-unit" "angstrom" } "b" { "source-value" 5.69637679 "source-unit" "angstrom" } "c" { "source-value" 7.80588161 "source-unit" "angstrom" } }