{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcn" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.187374 0.48738 ] [ 0.75 0.812626 0.51262 ] [ 0.75 0.687374 0.01262 ] [ 0.25 0.312626 0.98738 ] [ 0.25 0.998631 0.80621 ] [ 0.75 0.001369 0.19379 ] [ 0.75 0.498631 0.69379 ] [ 0.25 0.501369 0.30621 ] [ 0.25 0.304148 0.726818 ] [ 0.75 0.695852 0.273182 ] [ 0.75 0.804148 0.773182 ] [ 0.25 0.195852 0.226818 ] [ 0.25 0.625386 0.544467 ] [ 0.75 0.374614 0.455533 ] [ 0.75 0.125386 0.955533 ] [ 0.25 0.874614 0.044467 ] [ 0.25 0.556018 0.880958 ] [ 0.75 0.443982 0.119042 ] [ 0.75 0.056018 0.619042 ] [ 0.25 0.943982 0.380958 ] ] } "species" { "source-value" [ "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "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" 4.04996536 "source-unit" "angstrom" } "b" { "source-value" 11.02419258 "source-unit" "angstrom" } "c" { "source-value" 11.21161529 "source-unit" "angstrom" } }