{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.708617 0.1964 0.053706 ] [ 0.791383 0.6964 0.446294 ] [ 0.291383 0.8036 0.946294 ] [ 0.208617 0.3036 0.553706 ] [ 0.5 0 0.5 ] [ 0 0.5 0 ] [ 0.488573 0.475627 0.135595 ] [ 0.511427 0.524373 0.864405 ] [ 0.988573 0.024373 0.635595 ] [ 0.011427 0.975627 0.364405 ] [ 0.183032 0.546626 0.729583 ] [ 0.316968 0.046626 0.770417 ] [ 0.816968 0.453374 0.270417 ] [ 0.683032 0.953374 0.229583 ] [ 0.320682 0.60091 0.233159 ] [ 0.179318 0.10091 0.266841 ] [ 0.679318 0.39909 0.766841 ] [ 0.820682 0.89909 0.733159 ] [ 0.286605 0.338366 0.100142 ] [ 0.213395 0.838366 0.399858 ] [ 0.713395 0.661634 0.899858 ] [ 0.786605 0.161634 0.600142 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "Mg" "Mg" "P" "P" "P" "P" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.58098967803 "source-unit" "angstrom" } "b" { "source-value" 13.04108696 "source-unit" "angstrom" } "c" { "source-value" 7.93630436837 "source-unit" "angstrom" } "beta" { "source-value" 103.090252323 "source-unit" "degree" } }