{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1nb" } "basis-atom-coordinates" { "source-value" [ [ 0.252569 0.497318 0.292145 ] [ 0.752569 0.502682 0.707855 ] [ 0.752569 0.002682 0.792145 ] [ 0.252569 0.997318 0.207855 ] [ 0.740862 0.818487 0.410438 ] [ 0.240862 0.181513 0.589562 ] [ 0.240862 0.681513 0.910438 ] [ 0.740862 0.318487 0.089562 ] [ 0.739449 0.690169 0.081508 ] [ 0.239449 0.309831 0.918492 ] [ 0.239449 0.809831 0.581508 ] [ 0.739449 0.190169 0.418492 ] [ 0.64842 0.760478 0.238041 ] [ 0.14842 0.239522 0.761959 ] [ 0.14842 0.739522 0.738041 ] [ 0.64842 0.260478 0.261959 ] [ 0.024496 0.250781 0.460556 ] [ 0.524496 0.749219 0.539444 ] [ 0.524496 0.249219 0.960556 ] [ 0.024496 0.750781 0.039444 ] [ 0.040934 0.753356 0.45348 ] [ 0.540934 0.246644 0.54652 ] [ 0.540934 0.746644 0.95348 ] [ 0.040934 0.253356 0.04652 ] [ 0.738369 0.009534 0.405511 ] [ 0.238369 0.990466 0.594489 ] [ 0.238369 0.490466 0.905511 ] [ 0.738369 0.509534 0.094489 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "Be" "Be" "Be" "Be" "P" "P" "P" "P" "O" "O" "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" 4.98884877 "source-unit" "angstrom" } "b" { "source-value" 8.45681948 "source-unit" "angstrom" } "c" { "source-value" 8.62499804 "source-unit" "angstrom" } }