{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cmmm" } "basis-atom-coordinates" { "source-value" [ [ 0 0.154665 0 ] [ 0 0.845335 0 ] [ 0.5 0.654665 0 ] [ 0.5 0.345335 0 ] [ 0.5 0.223138 0.5 ] [ 0.5 0.776862 0.5 ] [ 0 0.723138 0.5 ] [ 0 0.276862 0.5 ] [ 0.5 0.855574 0.5 ] [ 0.5 0.144426 0.5 ] [ 0 0.355574 0.5 ] [ 0 0.644426 0.5 ] ] } "species" { "source-value" [ "Y" "Y" "Y" "Y" "B" "B" "B" "B" "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" 3.39175505225 "source-unit" "angstrom" } "b" { "source-value" 18.9406394591 "source-unit" "angstrom" } "c" { "source-value" 3.52803444 "source-unit" "angstrom" } }