{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-rhombohedral-crystal-npt" "instance-id" 1 "space-group" { "source-value" "R3m" } "basis-atom-coordinates" { "source-value" [ [ 0.232768 0.116384 0.412667 ] [ 0.899435 0.449718 0.746001 ] [ 0.566102 0.783051 0.079334 ] [ 0.883616 0.767232 0.412667 ] [ 0.550282 0.100565 0.746001 ] [ 0.216949 0.433898 0.079334 ] [ 0.883616 0.116384 0.412667 ] [ 0.550282 0.449718 0.746001 ] [ 0.216949 0.783051 0.079334 ] [ 0 0 0.018448 ] [ 0.666667 0.333333 0.351781 ] [ 0.333333 0.666667 0.685114 ] [ 0 0 0.447551 ] [ 0.666667 0.333333 0.780884 ] [ 0.333333 0.666667 0.114217 ] ] } "species" { "source-value" [ "H" "H" "H" "H" "H" "H" "H" "H" "H" "Cl" "Cl" "Cl" "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" 4.84764077288 "source-unit" "angstrom" } "alpha" { "source-value" 90 "source-unit" "degree" } }