{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmcm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.240363 0.75 ] [ 0.5 0.759637 0.25 ] [ 0 0.740363 0.75 ] [ 0 0.259637 0.25 ] [ 0 0 0.5 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0.033838 0.25 ] [ 0.5 0.966162 0.75 ] [ 0 0.533838 0.25 ] [ 0 0.466162 0.75 ] [ 0 0.052891 0.75 ] [ 0 0.947109 0.25 ] [ 0.5 0.885687 0.93481 ] [ 0.5 0.114313 0.06519 ] [ 0.5 0.114313 0.43481 ] [ 0.5 0.885687 0.56519 ] [ 0.5 0.552891 0.75 ] [ 0.5 0.447109 0.25 ] [ 0 0.385687 0.93481 ] [ 0 0.614313 0.06519 ] [ 0 0.614313 0.43481 ] [ 0 0.385687 0.56519 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Ho" "Ho" "Ho" "Ho" "Co" "Co" "Co" "Co" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.10802937 "source-unit" "angstrom" } "b" { "source-value" 16.2570597 "source-unit" "angstrom" } "c" { "source-value" 10.86332596 "source-unit" "angstrom" } }