{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pcmn" } "basis-atom-coordinates" { "source-value" [ [ 0.97488 0.75 0.589596 ] [ 0.52512 0.75 0.089596 ] [ 0.47488 0.25 0.910404 ] [ 0.02512 0.25 0.410404 ] [ 0 0 0 ] [ 0 0.5 0 ] [ 0.002219 0.25 0.744788 ] [ 0.497781 0.25 0.244788 ] [ 0.5 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.502219 0.75 0.755212 ] [ 0.997781 0.75 0.255212 ] [ 0.831645 0.25 0.915546 ] [ 0.668355 0.25 0.415546 ] [ 0.331645 0.75 0.584454 ] [ 0.168355 0.75 0.084454 ] [ 0.791348 0.75 0.42489 ] [ 0.770812 0.988329 0.666356 ] [ 0.770812 0.511671 0.666356 ] [ 0.729188 0.988329 0.166356 ] [ 0.729188 0.511671 0.166356 ] [ 0.708652 0.75 0.92489 ] [ 0.291348 0.25 0.07511 ] [ 0.270812 0.011671 0.833644 ] [ 0.270812 0.488329 0.833644 ] [ 0.229188 0.488329 0.333644 ] [ 0.229188 0.011671 0.333644 ] [ 0.208652 0.25 0.57511 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "O" "O" "O" "O" "F" "F" "F" "F" "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" 5.1932566 "source-unit" "angstrom" } "b" { "source-value" 5.99905186 "source-unit" "angstrom" } "c" { "source-value" 10.29134671 "source-unit" "angstrom" } }