{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmcn" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.474796 0.375361 ] [ 0.75 0.525204 0.624639 ] [ 0.75 0.974796 0.124639 ] [ 0.25 0.025204 0.875361 ] [ 0.25 0.261811 0.192987 ] [ 0.75 0.738189 0.807013 ] [ 0.75 0.761811 0.307013 ] [ 0.25 0.238189 0.692987 ] [ 0.25 0.141678 0.093922 ] [ 0.75 0.858322 0.906078 ] [ 0.75 0.641678 0.406078 ] [ 0.25 0.358322 0.593922 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "C" "C" "C" "C" "N" "N" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 3.73206429 "source-unit" "angstrom" } "b" { "source-value" 6.59553437 "source-unit" "angstrom" } "c" { "source-value" 8.8180059 "source-unit" "angstrom" } }