{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pc2_1n" } "basis-atom-coordinates" { "source-value" [ [ 0.012683 0.006777 0.497085 ] [ 0.987317 0.506777 0.502915 ] [ 0.512683 0.506777 0.002915 ] [ 0.487317 0.006777 0.997085 ] [ 0.456137 0.25192 0.716015 ] [ 0.543863 0.75192 0.283985 ] [ 0.043863 0.25192 0.216015 ] [ 0.956137 0.75192 0.783985 ] [ 0.104353 0.74906 0.088584 ] [ 0.895647 0.24906 0.911416 ] [ 0.604353 0.24906 0.411416 ] [ 0.395647 0.74906 0.588584 ] [ 0.773703 0.251537 0.043573 ] [ 0.788727 0.745977 0.092323 ] [ 0.226297 0.751537 0.956427 ] [ 0.733039 0.44429 0.344276 ] [ 0.288727 0.245977 0.407677 ] [ 0.233039 0.94429 0.155724 ] [ 0.273703 0.751537 0.456427 ] [ 0.266961 0.94429 0.655724 ] [ 0.760488 0.054539 0.846042 ] [ 0.711273 0.745977 0.592323 ] [ 0.239512 0.554539 0.153958 ] [ 0.726297 0.251537 0.543573 ] [ 0.766961 0.44429 0.844276 ] [ 0.260488 0.554539 0.653958 ] [ 0.211273 0.245977 0.907677 ] [ 0.739512 0.054539 0.346042 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Cd" "Cd" "Cd" "Cd" "P" "P" "P" "P" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.8663292 "source-unit" "angstrom" } "b" { "source-value" 6.38626196 "source-unit" "angstrom" } "c" { "source-value" 10.91432549 "source-unit" "angstrom" } }