{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbnm" } "basis-atom-coordinates" { "source-value" [ [ 0.559815 0.131418 0.75 ] [ 0.940185 0.631418 0.75 ] [ 0.059815 0.368582 0.25 ] [ 0.440185 0.868582 0.25 ] [ 0.877406 0.335132 0.936679 ] [ 0.090705 0.976444 0.75 ] [ 0.622594 0.835132 0.563321 ] [ 0.909295 0.023556 0.25 ] [ 0.409295 0.476444 0.75 ] [ 0.377406 0.164868 0.436679 ] [ 0.122594 0.664868 0.436679 ] [ 0.622594 0.835132 0.936679 ] [ 0.377406 0.164868 0.063321 ] [ 0.590705 0.523556 0.25 ] [ 0.122594 0.664868 0.063321 ] [ 0.877406 0.335132 0.563321 ] ] } "species" { "source-value" [ "Ho" "Ho" "Ho" "Ho" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.427682 "source-unit" "angstrom" } "b" { "source-value" 6.36583077 "source-unit" "angstrom" } "c" { "source-value" 6.8970945 "source-unit" "angstrom" } }