{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-rhombohedral-crystal-npt" "instance-id" 1 "space-group" { "source-value" "R3c" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.709269 ] [ 0.666667 0.333333 0.042603 ] [ 0.333333 0.666667 0.375936 ] [ 0 0 0.209269 ] [ 0.666667 0.333333 0.542603 ] [ 0.333333 0.666667 0.875936 ] [ 0 0 0.998738 ] [ 0.666667 0.333333 0.332071 ] [ 0.333333 0.666667 0.665404 ] [ 0 0 0.498738 ] [ 0.666667 0.333333 0.832071 ] [ 0.333333 0.666667 0.165404 ] [ 0.695011 0.711733 0.598664 ] [ 0.361678 0.045066 0.931998 ] [ 0.028345 0.378399 0.265331 ] [ 0.288267 0.983279 0.598664 ] [ 0.954934 0.316612 0.931998 ] [ 0.621601 0.649945 0.265331 ] [ 0.016721 0.304989 0.598664 ] [ 0.683388 0.638322 0.931998 ] [ 0.350055 0.971655 0.265331 ] [ 0.954934 0.638322 0.431998 ] [ 0.621601 0.971655 0.765331 ] [ 0.288267 0.304989 0.098664 ] [ 0.683388 0.045066 0.431998 ] [ 0.350055 0.378399 0.765331 ] [ 0.016721 0.711733 0.098664 ] [ 0.361678 0.316612 0.431998 ] [ 0.028345 0.649945 0.765331 ] [ 0.695011 0.983279 0.098664 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Cd" "Cd" "Cd" "Cd" "Cd" "Cd" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.83176382299 "source-unit" "angstrom" } "alpha" { "source-value" 90 "source-unit" "degree" } }