{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pcnb" } "basis-atom-coordinates" { "source-value" [ [ 0 0.75 0.952071 ] [ 0.5 0.25 0.547929 ] [ 0 0.25 0.047929 ] [ 0.5 0.75 0.452071 ] [ 0 0.75 0.281537 ] [ 0 0.25 0.718463 ] [ 0.5 0.75 0.781537 ] [ 0.5 0.25 0.218463 ] [ 0.5 0.25 0.896763 ] [ 0 0.25 0.396763 ] [ 0.5 0.75 0.103237 ] [ 0 0.75 0.603237 ] [ 0.293829 0.560892 0.863847 ] [ 0.739915 0.920205 0.206675 ] [ 0.239915 0.079795 0.293325 ] [ 0.760085 0.420205 0.293325 ] [ 0.260085 0.579795 0.206675 ] [ 0.260085 0.079795 0.793325 ] [ 0.760085 0.920205 0.706675 ] [ 0.239915 0.579795 0.706675 ] [ 0.793829 0.439108 0.636153 ] [ 0.293829 0.060892 0.136153 ] [ 0.706171 0.939108 0.863847 ] [ 0.206171 0.060892 0.636153 ] [ 0.206171 0.560892 0.363847 ] [ 0.706171 0.439108 0.136153 ] [ 0.75384 0.393926 0.957607 ] [ 0.793829 0.939108 0.363847 ] [ 0.75384 0.893926 0.042393 ] [ 0.25384 0.606074 0.542393 ] [ 0.74616 0.893926 0.542393 ] [ 0.24616 0.106074 0.957607 ] [ 0.24616 0.606074 0.042393 ] [ 0.74616 0.393926 0.457607 ] [ 0.25384 0.106074 0.457607 ] [ 0.739915 0.420205 0.793325 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Sb" "Sb" "Sb" "Sb" "W" "W" "W" "W" "O" "O" "O" "O" "O" "O" "O" "O" "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" 4.75928767 "source-unit" "angstrom" } "b" { "source-value" 5.09390505 "source-unit" "angstrom" } "c" { "source-value" 17.74070424 "source-unit" "angstrom" } }