{ "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" [ [ 0.5 0.809132 0.718391 ] [ 0 0.309132 0.281609 ] [ 0.5 0.86957 0.491661 ] [ 0.5 0.433066 0.917963 ] [ 0 0.933066 0.082037 ] [ 0.195335 0.390474 0.176108 ] [ 0.804665 0.390474 0.176108 ] [ 0.161281 0.921359 0.354977 ] [ 0.838719 0.921359 0.354977 ] [ 0 0.36957 0.508339 ] [ 0.338719 0.421359 0.645023 ] [ 0.661281 0.421359 0.645023 ] [ 0.304665 0.890474 0.823892 ] [ 0.695335 0.890474 0.823892 ] [ 0.5 0.499366 0.73303 ] [ 0 0.999366 0.26697 ] ] } "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" 5.14291078 "source-unit" "angstrom" } "b" { "source-value" 5.14711932 "source-unit" "angstrom" } "c" { "source-value" 5.23900358 "source-unit" "angstrom" } }