{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.826254 0 0.343641 ] [ 0.173746 0 0.656359 ] [ 0.326254 0.5 0.343641 ] [ 0.673746 0.5 0.656359 ] [ 0.014849 0.5 0.259723 ] [ 0.985151 0.5 0.740277 ] [ 0.858044 0 0.893315 ] [ 0.141956 0 0.106685 ] [ 0.514849 0 0.259723 ] [ 0.485151 0 0.740277 ] [ 0.358044 0.5 0.893315 ] [ 0.641956 0.5 0.106685 ] [ 0 0.252949 0 ] [ 0 0.747051 0 ] [ 0.15032 0.230399 0.768729 ] [ 0.84968 0.230399 0.231271 ] [ 0.84968 0.769601 0.231271 ] [ 0.15032 0.769601 0.768729 ] [ 0.099301 0 0.411491 ] [ 0.900699 0 0.588509 ] [ 0.201571 0.5 0.309051 ] [ 0.798429 0.5 0.690949 ] [ 0.5 0.752949 0 ] [ 0.5 0.247051 0 ] [ 0.65032 0.730399 0.768729 ] [ 0.34968 0.730399 0.231271 ] [ 0.34968 0.269601 0.231271 ] [ 0.65032 0.269601 0.768729 ] [ 0.599301 0.5 0.411491 ] [ 0.400699 0.5 0.588509 ] [ 0.701571 0 0.309051 ] [ 0.298429 0 0.690949 ] ] } "species" { "source-value" [ "Cr" "Cr" "Cr" "Cr" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "Pb" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 14.0590661848 "source-unit" "angstrom" } "b" { "source-value" 5.82848689294 "source-unit" "angstrom" } "c" { "source-value" 7.26171139668 "source-unit" "angstrom" } "beta" { "source-value" 112.838861556 "source-unit" "degree" } }