{ "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" [ [ 0.474828 0.413986 0.75 ] [ 0.025172 0.913986 0.75 ] [ 0.525172 0.586014 0.25 ] [ 0.974828 0.086014 0.25 ] [ 0 0.5 0 ] [ 0.5 0 0.5 ] [ 0 0.5 0.5 ] [ 0.5 0 0 ] [ 0.693831 0.315143 0.442193 ] [ 0.806169 0.815143 0.057807 ] [ 0.306169 0.684857 0.557807 ] [ 0.193831 0.184857 0.942193 ] [ 0.193831 0.184857 0.557807 ] [ 0.306169 0.684857 0.942193 ] [ 0.806169 0.815143 0.442193 ] [ 0.693831 0.315143 0.057807 ] [ 0.12076 0.45978 0.25 ] [ 0.37924 0.95978 0.25 ] [ 0.62076 0.04022 0.75 ] [ 0.87924 0.54022 0.75 ] ] } "species" { "source-value" [ "Lu" "Lu" "Lu" "Lu" "Ni" "Ni" "Ni" "Ni" "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" 5.11981254665 "source-unit" "angstrom" } "b" { "source-value" 5.61718693 "source-unit" "angstrom" } "c" { "source-value" 7.31261470878 "source-unit" "angstrom" } }