{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Immm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.794949 0.180169 ] [ 0 0.205051 0.180169 ] [ 0 0.794949 0.819831 ] [ 0 0.205051 0.819831 ] [ 0.5 0.5 0 ] [ 0.5 0.294949 0.680169 ] [ 0.5 0.705051 0.680169 ] [ 0.5 0.294949 0.319831 ] [ 0.5 0.705051 0.319831 ] [ 0 0 0.5 ] [ 0.5 0 0 ] [ 0 0.5 0.5 ] [ 0 0.274853 0 ] [ 0.5 0 0.213654 ] [ 0.5 0 0.786346 ] [ 0 0.725147 0 ] [ 0.5 0.774853 0.5 ] [ 0 0.5 0.713654 ] [ 0 0.5 0.286346 ] [ 0.5 0.225147 0.5 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Bi" "Bi" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.94732086 "source-unit" "angstrom" } "b" { "source-value" 7.23067244 "source-unit" "angstrom" } "c" { "source-value" 13.50370504 "source-unit" "angstrom" } }