{ "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" [ [ 0.180008 0.000253 0.586103 ] [ 0.319992 0.000253 0.086103 ] [ 0.319992 0.499747 0.086103 ] [ 0.180008 0.499747 0.586103 ] [ 0.680008 0.500253 0.913897 ] [ 0.819992 0.500253 0.413897 ] [ 0.819992 0.999747 0.413897 ] [ 0.680008 0.999747 0.913897 ] [ 0.171577 0.25 0.834592 ] [ 0.328423 0.25 0.334592 ] [ 0.671577 0.75 0.665408 ] [ 0.828423 0.75 0.165408 ] [ 0.67367 0.25 0.667028 ] [ 0.82633 0.25 0.167028 ] [ 0.32633 0.75 0.332972 ] [ 0.17367 0.75 0.832972 ] [ 0.777741 0.988397 0.590753 ] [ 0.722259 0.988397 0.090753 ] [ 0.298104 0.25 0.683917 ] [ 0.680648 0.25 0.325583 ] [ 0.819352 0.25 0.825583 ] [ 0.201896 0.25 0.183917 ] [ 0.722259 0.511603 0.090753 ] [ 0.777741 0.511603 0.590753 ] [ 0.222259 0.488397 0.409247 ] [ 0.277741 0.488397 0.909247 ] [ 0.701896 0.75 0.316083 ] [ 0.798104 0.75 0.816083 ] [ 0.319352 0.75 0.674417 ] [ 0.180648 0.75 0.174417 ] [ 0.222259 0.011603 0.409247 ] [ 0.277741 0.011603 0.909247 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Al" "Al" "Al" "Al" "Fe" "Fe" "Fe" "Fe" "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" 5.07124858 "source-unit" "angstrom" } "b" { "source-value" 6.25472686 "source-unit" "angstrom" } "c" { "source-value" 11.13049139 "source-unit" "angstrom" } }