{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cc2m" } "basis-atom-coordinates" { "source-value" [ [ 0.501579 0 0 ] [ 0.501579 0 0.5 ] [ 0.001579 0.5 0 ] [ 0.001579 0.5 0.5 ] [ 0.058554 0.925261 0.75 ] [ 0.058554 0.074739 0.25 ] [ 0.558554 0.425261 0.75 ] [ 0.558554 0.574739 0.25 ] [ 0.236867 0.238077 0.25 ] [ 0.236867 0.761923 0.75 ] [ 0.736867 0.738077 0.25 ] [ 0.736867 0.261923 0.75 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "H" "H" "H" "H" "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" 5.52358606 "source-unit" "angstrom" } "b" { "source-value" 5.6324147 "source-unit" "angstrom" } "c" { "source-value" 6.17469014 "source-unit" "angstrom" } }