{ "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 0.890322 0.25 ] [ 0 0.109678 0.75 ] [ 0.5 0.390322 0.25 ] [ 0.5 0.609678 0.75 ] [ 0.5 0.865813 0.936664 ] [ 0.5 0.134187 0.436664 ] [ 0.5 0.865813 0.563336 ] [ 0.5 0.134187 0.063336 ] [ 0 0.365813 0.936664 ] [ 0 0.634187 0.436664 ] [ 0 0.365813 0.563336 ] [ 0 0.634187 0.063336 ] [ 0 0.837141 0.75 ] [ 0 0.162859 0.25 ] [ 0.5 0.337141 0.75 ] [ 0.5 0.662859 0.25 ] [ 0 0 0.5 ] [ 0 0 0 ] [ 0.5 0.762622 0.110364 ] [ 0.5 0.237378 0.889636 ] [ 0.5 0.931143 0.75 ] [ 0.5 0.762622 0.389636 ] [ 0.5 0.068857 0.25 ] [ 0.5 0.237378 0.610364 ] [ 0.5 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0 0.262622 0.110364 ] [ 0 0.737378 0.889636 ] [ 0 0.431143 0.75 ] [ 0 0.262622 0.389636 ] [ 0 0.568857 0.25 ] [ 0 0.737378 0.610364 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Cu" "Cu" "Cu" "Cu" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.94230306 "source-unit" "angstrom" } "b" { "source-value" 13.4733392 "source-unit" "angstrom" } "c" { "source-value" 13.69523438 "source-unit" "angstrom" } }