{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pn2_1m" } "basis-atom-coordinates" { "source-value" [ [ 0.178869 0.992292 0 ] [ 0.821131 0.492292 0.5 ] [ 0.719858 0.396995 0.31417 ] [ 0.84761 0.896505 0.346666 ] [ 0.719858 0.396995 0.68583 ] [ 0.280142 0.896995 0.81417 ] [ 0.280142 0.896995 0.18583 ] [ 0.067038 0.456125 0.5 ] [ 0.932962 0.956125 0 ] [ 0.15239 0.396505 0.153334 ] [ 0.437066 0.348353 0 ] [ 0.562934 0.848353 0.5 ] [ 0.84761 0.896505 0.653334 ] [ 0.15239 0.396505 0.846666 ] [ 0.765893 0.805229 0.5 ] [ 0.234107 0.305229 0 ] ] } "species" { "source-value" [ "B" "B" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.94102839 "source-unit" "angstrom" } "b" { "source-value" 5.02302288 "source-unit" "angstrom" } "c" { "source-value" 5.41648335 "source-unit" "angstrom" } }