{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-3m1" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.333333 0.666667 0.308606 ] [ 0.666667 0.333333 0.691394 ] [ 0 0 0.5 ] [ 0.333333 0.666667 0.739506 ] [ 0.666667 0.333333 0.260494 ] [ 0.833395 0.166605 0.340267 ] [ 0.833395 0.66679 0.340267 ] [ 0.33321 0.166605 0.340267 ] [ 0.66679 0.833395 0.659733 ] [ 0.166605 0.33321 0.659733 ] [ 0.166605 0.833395 0.659733 ] [ 0.333333 0.666667 0.961967 ] [ 0.666667 0.333333 0.038033 ] ] } "species" { "source-value" [ "K" "K" "K" "V" "V" "V" "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" 5.75550800947 "source-unit" "angstrom" } "c" { "source-value" 7.56128312 "source-unit" "angstrom" } }