{ "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" [ [ 0.333333 0.666667 0.718461 ] [ 0.666667 0.333333 0.281539 ] [ 0 0 0 ] [ 0.838319 0.676639 0.777381 ] [ 0.323361 0.161681 0.777381 ] [ 0.838319 0.161681 0.777381 ] [ 0.161681 0.323361 0.222619 ] [ 0.676639 0.838319 0.222619 ] [ 0.161681 0.838319 0.222619 ] ] } "species" { "source-value" [ "K" "K" "Pd" "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" 5.85354737 "source-unit" "angstrom" } "c" { "source-value" 4.78871046 "source-unit" "angstrom" } }