{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C222_1" } "basis-atom-coordinates" { "source-value" [ [ 0.318991 0 0.5 ] [ 0 0.192205 0.75 ] [ 0 0.807795 0.25 ] [ 0.681009 0 0 ] [ 0.818991 0.5 0.5 ] [ 0.5 0.692205 0.75 ] [ 0.5 0.307795 0.25 ] [ 0.181009 0.5 0 ] [ 0 0.187314 0.25 ] [ 0 0.812686 0.75 ] [ 0.5 0.687314 0.25 ] [ 0.5 0.312686 0.75 ] [ 0.315671 0 0 ] [ 0.684329 0 0.5 ] [ 0.815671 0.5 0 ] [ 0.184329 0.5 0.5 ] [ 0.197745 0.006082 0.202124 ] [ 0.197745 0.993918 0.797876 ] [ 0.947656 0.331825 0.008912 ] [ 0.947656 0.668175 0.991088 ] [ 0.052344 0.331825 0.491088 ] [ 0.052344 0.668175 0.508912 ] [ 0.802255 0.993918 0.702124 ] [ 0.802255 0.006082 0.297876 ] [ 0.697745 0.506082 0.202124 ] [ 0.697745 0.493918 0.797876 ] [ 0.447656 0.831825 0.008912 ] [ 0.447656 0.168175 0.991088 ] [ 0.552344 0.831825 0.491088 ] [ 0.552344 0.168175 0.508912 ] [ 0.302255 0.493918 0.702124 ] [ 0.302255 0.506082 0.297876 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Ni" "Ni" "Ni" "Ni" "B" "B" "B" "B" "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" 6.86667366 "source-unit" "angstrom" } "b" { "source-value" 7.1201882 "source-unit" "angstrom" } "c" { "source-value" 6.10975146 "source-unit" "angstrom" } }