{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnma" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.264076 0.078437 ] [ 0.75 0.764076 0.421563 ] [ 0.25 0.235924 0.578437 ] [ 0.75 0.735924 0.921563 ] [ 0.25 0.779681 0.250143 ] [ 0.75 0.279681 0.249857 ] [ 0.25 0.720319 0.750143 ] [ 0.75 0.220319 0.749857 ] [ 0.75 0.764301 0.123129 ] [ 0.25 0.264301 0.376871 ] [ 0.75 0.735699 0.623129 ] [ 0.25 0.235699 0.876871 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Cu" "Cu" "Cu" "Cu" "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" 3.71145372 "source-unit" "angstrom" } "b" { "source-value" 3.72209637 "source-unit" "angstrom" } "c" { "source-value" 12.24991594 "source-unit" "angstrom" } }