{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.215389 0.995392 0.660312 ] [ 0.284611 0.995392 0.160312 ] [ 0.215389 0.504608 0.660312 ] [ 0.284611 0.504608 0.160312 ] [ 0.715389 0.495392 0.839688 ] [ 0.784611 0.495392 0.339688 ] [ 0.784611 0.004608 0.339688 ] [ 0.715389 0.004608 0.839688 ] [ 0.732579 0.25 0.601681 ] [ 0.767421 0.25 0.101681 ] [ 0.232579 0.75 0.898319 ] [ 0.267421 0.75 0.398319 ] [ 0.226452 0.25 0.901601 ] [ 0.273548 0.25 0.401601 ] [ 0.726452 0.75 0.598399 ] [ 0.773548 0.75 0.098399 ] [ 0.326496 0.074044 0.836835 ] [ 0.173504 0.074044 0.336835 ] [ 0.903465 0.25 0.900412 ] [ 0.194796 0.25 0.547665 ] [ 0.305204 0.25 0.047665 ] [ 0.596535 0.25 0.400412 ] [ 0.326496 0.425956 0.836835 ] [ 0.173504 0.425956 0.336835 ] [ 0.673504 0.574044 0.163165 ] [ 0.826496 0.574044 0.663165 ] [ 0.694796 0.75 0.952335 ] [ 0.403465 0.75 0.599588 ] [ 0.805204 0.75 0.452335 ] [ 0.096535 0.75 0.099588 ] [ 0.826496 0.925956 0.663165 ] [ 0.673504 0.925956 0.163165 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Bi" "Bi" "Bi" "Bi" "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" 4.82420872 "source-unit" "angstrom" } "b" { "source-value" 6.85174766 "source-unit" "angstrom" } "c" { "source-value" 10.33408173 "source-unit" "angstrom" } }