{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Ccmm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.366339 0.25 ] [ 0 0.633661 0.75 ] [ 0.5 0.866339 0.25 ] [ 0.5 0.133661 0.75 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0 0.693053 0.25 ] [ 0 0.306947 0.75 ] [ 0.5 0.193053 0.25 ] [ 0.5 0.806947 0.75 ] [ 0 0.259093 0.030683 ] [ 0 0.740907 0.530683 ] [ 0 0.740907 0.969317 ] [ 0 0.259093 0.469317 ] [ 0.265338 0.982382 0.25 ] [ 0.734662 0.017618 0.75 ] [ 0.734662 0.982382 0.25 ] [ 0.265338 0.017618 0.75 ] [ 0.5 0.759093 0.030683 ] [ 0.5 0.240907 0.530683 ] [ 0.5 0.240907 0.969317 ] [ 0.5 0.759093 0.469317 ] [ 0.765338 0.482382 0.25 ] [ 0.234662 0.517618 0.75 ] [ 0.234662 0.482382 0.25 ] [ 0.765338 0.517618 0.75 ] ] } "species" { "source-value" [ "V" "V" "V" "V" "Cd" "Cd" "Cd" "Cd" "Cu" "Cu" "Cu" "Cu" "O" "O" "O" "O" "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" 6.08983128398 "source-unit" "angstrom" } "b" { "source-value" 9.18904645783 "source-unit" "angstrom" } "c" { "source-value" 6.5636051 "source-unit" "angstrom" } }