{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "F2mm" } "basis-atom-coordinates" { "source-value" [ [ 0.00187 0 0 ] [ 0.00187 0.5 0.5 ] [ 0.50187 0.5 0 ] [ 0.50187 0 0.5 ] [ 0.152456 0 0.238841 ] [ 0.152456 0 0.761159 ] [ 0.152456 0.5 0.738841 ] [ 0.152456 0.5 0.261159 ] [ 0.652456 0.5 0.238841 ] [ 0.652456 0.5 0.761159 ] [ 0.652456 0 0.738841 ] [ 0.652456 0 0.261159 ] [ 0.002302 0 0.194782 ] [ 0.002302 0 0.805218 ] [ 0.247008 0.750921 0 ] [ 0.247008 0.249079 0 ] [ 0.002302 0.5 0.694782 ] [ 0.002302 0.5 0.305218 ] [ 0.247008 0.250921 0.5 ] [ 0.247008 0.749079 0.5 ] [ 0.502302 0.5 0.194782 ] [ 0.502302 0.5 0.805218 ] [ 0.747008 0.250921 0 ] [ 0.747008 0.749079 0 ] [ 0.502302 0 0.694782 ] [ 0.502302 0 0.305218 ] [ 0.747008 0.750921 0.5 ] [ 0.747008 0.249079 0.5 ] ] } "species" { "source-value" [ "U" "U" "U" "U" "H" "H" "H" "H" "H" "H" "H" "H" "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" 5.72598657801 "source-unit" "angstrom" } "b" { "source-value" 6.04281479765 "source-unit" "angstrom" } "c" { "source-value" 10.7408931445 "source-unit" "angstrom" } }