{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.242815 0.75 0.072328 ] [ 0.749649 0.998237 0.253463 ] [ 0.749649 0.501763 0.253463 ] [ 0.250351 0.498237 0.746537 ] [ 0.250351 0.001763 0.746537 ] [ 0.757185 0.25 0.927672 ] [ 0.222097 0.25 0.333654 ] [ 0.777903 0.75 0.666346 ] [ 0.268731 0.25 0.063989 ] [ 0.731269 0.75 0.936011 ] [ 0.287098 0.75 0.423395 ] [ 0.712902 0.25 0.576605 ] [ 0.703125 0.75 0.083893 ] [ 0.034756 0.25 0.134669 ] [ 0.472106 0.25 0.169286 ] [ 0.217691 0.937085 0.325537 ] [ 0.217691 0.562915 0.325537 ] [ 0.577013 0.75 0.461566 ] [ 0.864732 0.25 0.432418 ] [ 0.135268 0.75 0.567582 ] [ 0.422987 0.25 0.538434 ] [ 0.782309 0.437085 0.674463 ] [ 0.782309 0.062915 0.674463 ] [ 0.527894 0.75 0.830714 ] [ 0.965244 0.75 0.865331 ] [ 0.296875 0.25 0.916107 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "V" "V" "B" "B" "P" "P" "O" "O" "O" "O" "O" "O" "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" 5.28383014 "source-unit" "angstrom" } "b" { "source-value" 6.61975545 "source-unit" "angstrom" } "c" { "source-value" 9.00337675 "source-unit" "angstrom" } "beta" { "source-value" 91.41799721 "source-unit" "degree" } }