{ "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 0.082151 0.25 ] [ 0.5 0.917849 0.75 ] [ 0 0.582151 0.25 ] [ 0 0.417849 0.75 ] [ 0 0.189265 0.25 ] [ 0 0.810735 0.75 ] [ 0 0.039504 0.75 ] [ 0 0.960496 0.25 ] [ 0.5 0.190912 0.75 ] [ 0.5 0.809088 0.25 ] [ 0.5 0.689265 0.25 ] [ 0.5 0.310735 0.75 ] [ 0.5 0.539504 0.75 ] [ 0.5 0.460496 0.25 ] [ 0 0.690912 0.75 ] [ 0 0.309088 0.25 ] ] } "species" { "source-value" [ "Dy" "Dy" "Dy" "Dy" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.03109030195 "source-unit" "angstrom" } "b" { "source-value" 20.8947070661 "source-unit" "angstrom" } "c" { "source-value" 3.92508414 "source-unit" "angstrom" } }