{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2mm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.001965 0.5 ] [ 0 0.818892 0 ] [ 0.5 0.891708 0 ] [ 0 0.501965 0.5 ] [ 0.5 0.318892 0 ] [ 0 0.391708 0 ] [ 0.5 0.807082 0.5 ] [ 0 0.130293 0.5 ] [ 0 0.888915 0.5 ] [ 0 0.190643 0 ] [ 0 0.014109 0 ] [ 0 0.307082 0.5 ] [ 0.5 0.630293 0.5 ] [ 0.5 0.388915 0.5 ] [ 0.5 0.690643 0 ] [ 0.5 0.514109 0 ] [ 0.5 0.229109 0.293684 ] [ 0.5 0.229109 0.706316 ] [ 0.5 0.091637 0.797896 ] [ 0.5 0.091637 0.202104 ] [ 0 0.729109 0.293684 ] [ 0 0.729109 0.706316 ] [ 0 0.591637 0.797896 ] [ 0 0.591637 0.202104 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ce" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" "Ge" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.56086902797 "source-unit" "angstrom" } "b" { "source-value" 20.0915256062 "source-unit" "angstrom" } "c" { "source-value" 6.30561728 "source-unit" "angstrom" } }