{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1nb" } "basis-atom-coordinates" { "source-value" [ [ 0.241734 0.51586 0.840584 ] [ 0.241734 0.01586 0.659416 ] [ 0.741734 0.98414 0.340584 ] [ 0.741734 0.48414 0.159416 ] [ 0.757296 0.828785 0.91645 ] [ 0.257296 0.671215 0.41645 ] [ 0.757296 0.328785 0.58355 ] [ 0.257296 0.171215 0.08355 ] [ 0.200761 0.798917 0.133709 ] [ 0.700761 0.201083 0.866291 ] [ 0.200761 0.298917 0.366291 ] [ 0.700761 0.701083 0.633709 ] [ 0.328718 0.701321 0.059394 ] [ 0.354579 0.418284 0.334994 ] [ 0.9655 0.354274 0.422391 ] [ 0.4655 0.145726 0.922391 ] [ 0.854579 0.581716 0.665006 ] [ 0.854579 0.081716 0.834994 ] [ 0.106167 0.227236 0.258748 ] [ 0.606167 0.272764 0.758748 ] [ 0.828718 0.298679 0.940606 ] [ 0.9655 0.854274 0.077609 ] [ 0.354579 0.918284 0.165006 ] [ 0.606167 0.772764 0.741252 ] [ 0.106167 0.727236 0.241252 ] [ 0.328718 0.201321 0.440606 ] [ 0.4655 0.645726 0.577609 ] [ 0.828718 0.798679 0.559394 ] [ 0.581663 0.679721 0.341177 ] [ 0.287384 0.372413 0.061166 ] [ 0.287384 0.872413 0.438834 ] [ 0.581663 0.179721 0.158823 ] [ 0.081663 0.320279 0.658823 ] [ 0.081663 0.820279 0.841177 ] [ 0.787384 0.627587 0.938834 ] [ 0.787384 0.127587 0.561166 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Sb" "Sb" "Sb" "Sb" "S" "S" "S" "S" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.41747365 "source-unit" "angstrom" } "b" { "source-value" 9.76087755 "source-unit" "angstrom" } "c" { "source-value" 11.63745764 "source-unit" "angstrom" } }