{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmn2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.196153 0.5 0.466059 ] [ 0.696153 0 0.533941 ] [ 0.088208 0.5 0.021682 ] [ 0.588208 0 0.978318 ] [ 0.656747 0.5 0.791776 ] [ 0.156747 0 0.208224 ] [ 0.665641 0.639631 0.196471 ] [ 0.665641 0.360369 0.196471 ] [ 0.165641 0.860369 0.803529 ] [ 0.165641 0.139631 0.803529 ] [ 0.344608 0.5 0.822087 ] [ 0.844608 0 0.177913 ] [ 0.714015 0.5 0.612291 ] [ 0.214015 0 0.387709 ] [ 0.801614 0.719233 0.876844 ] [ 0.801614 0.280767 0.876844 ] [ 0.301614 0.780767 0.123156 ] [ 0.301614 0.219233 0.123156 ] [ 0.783818 0.5 0.215008 ] [ 0.283818 0 0.784992 ] ] } "species" { "source-value" [ "K" "K" "Co" "Co" "P" "P" "H" "H" "H" "H" "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" 4.85553367 "source-unit" "angstrom" } "b" { "source-value" 5.63794299 "source-unit" "angstrom" } "c" { "source-value" 8.35422802 "source-unit" "angstrom" } }