{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P6_3mc" } "basis-atom-coordinates" { "source-value" [ [ 0.140674 0.859326 0.61296 ] [ 0.462646 0.925293 0.288452 ] [ 0.718652 0.859326 0.61296 ] [ 0.074707 0.537354 0.288452 ] [ 0.462646 0.537354 0.288452 ] [ 0.859326 0.718652 0.11296 ] [ 0.140674 0.281348 0.61296 ] [ 0.537354 0.462646 0.788452 ] [ 0.925293 0.462646 0.788452 ] [ 0.281348 0.140674 0.11296 ] [ 0.537354 0.074707 0.788452 ] [ 0.859326 0.140674 0.11296 ] [ 0.333333 0.666667 0.891613 ] [ 0.666667 0.333333 0.391613 ] [ 0.190335 0.809665 0.001927 ] [ 0.333333 0.666667 0.55762 ] [ 0.61933 0.809665 0.001927 ] [ 0.190335 0.38067 0.001927 ] [ 0.809665 0.61933 0.501927 ] [ 0.666667 0.333333 0.05762 ] [ 0.38067 0.190335 0.501927 ] [ 0.809665 0.190335 0.501927 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Na" "Mg" "Mg" "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" 7.66364552 "source-unit" "angstrom" } "c" { "source-value" 5.92568234 "source-unit" "angstrom" } }