{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-hexagonal-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-3" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0 0.5 ] [ 0.666667 0.333333 0.248216 ] [ 0.333333 0.666667 0.751784 ] [ 0.333333 0.666667 0.309001 ] [ 0.666667 0.333333 0.690999 ] [ 0.666667 0.333333 0.019493 ] [ 0.333333 0.666667 0.980507 ] [ 0.747183 0.665302 0.318292 ] [ 0.918119 0.252817 0.318292 ] [ 0.334698 0.081881 0.318292 ] [ 0.252817 0.334698 0.681708 ] [ 0.665302 0.918119 0.681708 ] [ 0.081881 0.747183 0.681708 ] ] } "species" { "source-value" [ "Ba" "Mn" "V" "V" "Ag" "Ag" "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" 5.63470045752 "source-unit" "angstrom" } "c" { "source-value" 7.47257944 "source-unit" "angstrom" } }