{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P6_3/mmc" } "basis-atom-coordinates" { "source-value" [ [ 0.666667 0.333333 0.824335 ] [ 0.333333 0.666667 0.324335 ] [ 0.333333 0.666667 0.175665 ] [ 0.666667 0.333333 0.675665 ] [ 0.666667 0.333333 0.968048 ] [ 0.333333 0.666667 0.468048 ] [ 0.333333 0.666667 0.031952 ] [ 0.666667 0.333333 0.531952 ] [ 0.166592 0.333184 0.75 ] [ 0.833408 0.666816 0.25 ] [ 0.166592 0.833408 0.75 ] [ 0.666816 0.833408 0.75 ] [ 0.333184 0.166592 0.25 ] [ 0.833408 0.166592 0.25 ] [ 0.167231 0.334463 0.914461 ] [ 0.832769 0.665537 0.414461 ] [ 0.167231 0.832769 0.914461 ] [ 0.665537 0.832769 0.914461 ] [ 0.334463 0.167231 0.414461 ] [ 0.832769 0.167231 0.414461 ] [ 0.832769 0.665537 0.085539 ] [ 0.334463 0.167231 0.085539 ] [ 0.832769 0.167231 0.085539 ] [ 0.167231 0.832769 0.585539 ] [ 0.665537 0.832769 0.585539 ] [ 0.167231 0.334463 0.585539 ] [ 0 0 0 ] [ 0 0 0.5 ] [ 0 0 0.832624 ] [ 0 0 0.332624 ] [ 0 0 0.167376 ] [ 0 0 0.667376 ] [ 0.666667 0.333333 0.167525 ] [ 0.333333 0.666667 0.667525 ] [ 0.333333 0.666667 0.832475 ] [ 0.666667 0.333333 0.332475 ] ] } "species" { "source-value" [ "Th" "Th" "Th" "Th" "Th" "Th" "Th" "Th" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "short-name" { "source-value" [ "hcp" ] } "a" { "source-value" 4.9740205 "source-unit" "angstrom" } "c" { "source-value" 24.76198765 "source-unit" "angstrom" } }