{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Imma" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.75 0.75 ] [ 0 0 0.5 ] [ 0.5 0 0 ] [ 0.75 0.75 0.75 ] [ 0.75 0.25 0.25 ] [ 0.5 0.5 0 ] [ 0 0.5 0.5 ] [ 0.25 0.25 0.25 ] [ 0.75 0.25 0.75 ] [ 0.25 0.25 0.75 ] [ 0.25 0.75 0.25 ] [ 0.75 0.75 0.25 ] [ 0.5 0 0.5 ] [ 0 0 0 ] [ 0 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0 0.021646 0.749835 ] [ 0.731805 0.25 0.516167 ] [ 0.231805 0.25 0.983833 ] [ 0.5 0.021646 0.750165 ] [ 0 0.478354 0.749835 ] [ 0.268195 0.25 0.516167 ] [ 0.768195 0.25 0.983833 ] [ 0.5 0.478354 0.750165 ] [ 0.5 0.521646 0.249835 ] [ 0.231805 0.75 0.016167 ] [ 0.731805 0.75 0.483833 ] [ 0 0.521646 0.250165 ] [ 0.5 0.978354 0.249835 ] [ 0.768195 0.75 0.016167 ] [ 0.268195 0.75 0.483833 ] [ 0 0.978354 0.250165 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Co" "Co" "Co" "Co" "Ni" "Ni" "Ni" "Ni" "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" 5.73501729 "source-unit" "angstrom" } "b" { "source-value" 5.75433002 "source-unit" "angstrom" } "c" { "source-value" 8.2544199 "source-unit" "angstrom" } }