{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-cubic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_13" } "basis-atom-coordinates" { "source-value" [ [ 0.078486 0.078486 0.078486 ] [ 0.421514 0.921514 0.578486 ] [ 0.578486 0.421514 0.921514 ] [ 0.921514 0.578486 0.421514 ] [ 0.404333 0.404333 0.404333 ] [ 0.095667 0.595667 0.904333 ] [ 0.904333 0.095667 0.595667 ] [ 0.595667 0.904333 0.095667 ] [ 0.214721 0.401255 0.001847 ] [ 0.714721 0.098745 0.998153 ] [ 0.785279 0.901255 0.498153 ] [ 0.098745 0.998153 0.714721 ] [ 0.498153 0.785279 0.901255 ] [ 0.998153 0.714721 0.098745 ] [ 0.401255 0.001847 0.214721 ] [ 0.001847 0.214721 0.401255 ] [ 0.285279 0.598745 0.501847 ] [ 0.501847 0.285279 0.598745 ] [ 0.598745 0.501847 0.285279 ] [ 0.901255 0.498153 0.785279 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Br" "Br" "Br" "Br" "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" 6.82000228 "source-unit" "angstrom" } }