{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P31c" } "basis-atom-coordinates" { "source-value" [ [ 0.973993 0.448242 0.490241 ] [ 0.551758 0.525752 0.490241 ] [ 0.474248 0.026007 0.490241 ] [ 0.448242 0.973993 0.990241 ] [ 0.525752 0.551758 0.990241 ] [ 0.026007 0.474248 0.990241 ] [ 0.033765 0.787536 0.759905 ] [ 0.212464 0.246229 0.759905 ] [ 0.753771 0.966235 0.759905 ] [ 0.787536 0.033765 0.259905 ] [ 0.246229 0.212464 0.259905 ] [ 0.966235 0.753771 0.259905 ] [ 0 0 0.999297 ] [ 0 0 0.499297 ] [ 0.666667 0.333333 0.197581 ] [ 0.333333 0.666667 0.697581 ] [ 0.333333 0.666667 0.264194 ] [ 0.666667 0.333333 0.764194 ] [ 0.481336 0.32278 0.815131 ] [ 0.67722 0.158556 0.815131 ] [ 0.841444 0.518664 0.815131 ] [ 0.32278 0.481336 0.315131 ] [ 0.158556 0.67722 0.315131 ] [ 0.518664 0.841444 0.315131 ] [ 0 0 0.152006 ] [ 0 0 0.652006 ] [ 0.666667 0.333333 0.34671 ] [ 0.333333 0.666667 0.84671 ] [ 0.333333 0.666667 0.114699 ] [ 0.666667 0.333333 0.614699 ] [ 0.791319 0.888252 0.949652 ] [ 0.111748 0.903067 0.949652 ] [ 0.096933 0.208681 0.949652 ] [ 0.888252 0.791319 0.449652 ] [ 0.903067 0.111748 0.449652 ] [ 0.208681 0.096933 0.449652 ] [ 0.768413 0.541909 0.145575 ] [ 0.458091 0.226504 0.145575 ] [ 0.773496 0.231587 0.145575 ] [ 0.541909 0.768413 0.645575 ] [ 0.226504 0.458091 0.645575 ] [ 0.231587 0.773496 0.645575 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Li" "Li" "Li" "Li" "Li" "Li" "S" "S" "S" "S" "S" "S" "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" 7.7676906 "source-unit" "angstrom" } "c" { "source-value" 9.95878376 "source-unit" "angstrom" } }