{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P31m" } "basis-atom-coordinates" { "source-value" [ [ 0.666667 0.333333 0.361736 ] [ 0 0 0.862719 ] [ 0.333333 0.666667 0.361736 ] [ 0.317314 0 0.487826 ] [ 0.644848 0 0.006434 ] [ 0 0.317314 0.487826 ] [ 0 0.644848 0.006434 ] [ 0.355152 0.355152 0.006434 ] [ 0.682686 0.682686 0.487826 ] [ 0.163033 0 0.628309 ] [ 0.306393 0 0.152219 ] [ 0.482055 0.162242 0.576645 ] [ 0.63007 0 0.671526 ] [ 0.648449 0.159084 0.131997 ] [ 0.810441 0 0.077124 ] [ 0.510635 0.351551 0.131997 ] [ 0.837758 0.319814 0.576645 ] [ 0 0.163033 0.628309 ] [ 0 0.306393 0.152219 ] [ 0.680186 0.517945 0.576645 ] [ 0.840916 0.489365 0.131997 ] [ 0.189559 0.189559 0.077124 ] [ 0.162242 0.482055 0.576645 ] [ 0 0.63007 0.671526 ] [ 0.159084 0.648449 0.131997 ] [ 0 0.810441 0.077124 ] [ 0.36993 0.36993 0.671526 ] [ 0.351551 0.510635 0.131997 ] [ 0.319814 0.837758 0.576645 ] [ 0.517945 0.680186 0.576645 ] [ 0.489365 0.840916 0.131997 ] [ 0.693607 0.693607 0.152219 ] [ 0.836967 0.836967 0.628309 ] ] } "species" { "source-value" [ "Mg" "Mg" "Mg" "Re" "Re" "Re" "Re" "Re" "Re" "O" "O" "O" "O" "O" "O" "O" "O" "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" 10.43614522 "source-unit" "angstrom" } "c" { "source-value" 5.12739589 "source-unit" "angstrom" } }