{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnn" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.891598 0.208526 ] [ 0.5 0.108402 0.791474 ] [ 0 0.391598 0.291474 ] [ 0 0.608402 0.708526 ] [ 0.5 0.706565 0.882042 ] [ 0.5 0.293435 0.117958 ] [ 0 0.206565 0.617958 ] [ 0 0.793435 0.382042 ] [ 0 0 0.5 ] [ 0.5 0.5 0 ] ] } "species" { "source-value" [ "Mg" "Mg" "Mg" "Mg" "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" 3.74218784 "source-unit" "angstrom" } "b" { "source-value" 5.29149689 "source-unit" "angstrom" } "c" { "source-value" 6.44793035 "source-unit" "angstrom" } }