{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P6_3" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.498157 ] [ 0 0 0.998157 ] [ 0.666667 0.333333 0.303202 ] [ 0.333333 0.666667 0.803202 ] [ 0.333333 0.666667 0.195494 ] [ 0.666667 0.333333 0.695494 ] [ 0.62064 0.662565 0.250987 ] [ 0.662565 0.041925 0.750987 ] [ 0.333333 0.666667 0.016187 ] [ 0.666667 0.333333 0.516187 ] [ 0.337435 0.958075 0.250987 ] [ 0.37936 0.337435 0.750987 ] [ 0.958075 0.62064 0.750987 ] [ 0.041925 0.37936 0.250987 ] ] } "species" { "source-value" [ "K" "K" "Li" "Li" "Be" "Be" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.13905441604 "source-unit" "angstrom" } "c" { "source-value" 8.74568504 "source-unit" "angstrom" } }