{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnmm" } "basis-atom-coordinates" { "source-value" [ [ 0.183627 0.75 0.046684 ] [ 0.183627 0.75 0.453316 ] [ 0.816373 0.25 0.953316 ] [ 0.816373 0.25 0.546684 ] [ 0.478564 0.25 0.75 ] [ 0.991772 0.998331 0.75 ] [ 0.499284 0.25 0.25 ] [ 0.521436 0.75 0.25 ] [ 0.991772 0.501669 0.75 ] [ 0.008228 0.498331 0.25 ] [ 0.500716 0.75 0.75 ] [ 0.008228 0.001669 0.25 ] [ 0.339829 0.506823 0.25 ] [ 0.339829 0.993177 0.25 ] [ 0.660171 0.006823 0.75 ] [ 0.166 0.75 0.75 ] [ 0.834 0.25 0.25 ] [ 0.855331 0.75 0.25 ] [ 0.660171 0.493177 0.75 ] [ 0.144669 0.25 0.75 ] ] } "species" { "source-value" [ "Be" "Be" "Be" "Be" "B" "B" "B" "B" "B" "B" "B" "B" "C" "C" "C" "C" "C" "C" "C" "C" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.70149561 "source-unit" "angstrom" } "b" { "source-value" 5.43396802 "source-unit" "angstrom" } "c" { "source-value" 6.13303419 "source-unit" "angstrom" } }