{ "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" [ [ 0.192029 0.749433 0.766555 ] [ 0.192029 0.750567 0.266555 ] [ 0.807971 0.250567 0.233445 ] [ 0.807971 0.249433 0.733445 ] [ 0.932928 0.940809 0.576426 ] [ 0.932928 0.559191 0.076426 ] [ 0.067072 0.059191 0.423574 ] [ 0.067072 0.440809 0.923574 ] [ 0.202822 0.964055 0.60921 ] [ 0.202822 0.535945 0.10921 ] [ 0.797178 0.035945 0.39079 ] [ 0.797178 0.464055 0.89079 ] [ 0.471919 0.546652 0.945344 ] [ 0.471919 0.953348 0.445344 ] [ 0.528081 0.453348 0.054656 ] [ 0.528081 0.046652 0.554656 ] [ 0.477788 0.862628 0.90817 ] [ 0.477788 0.637372 0.40817 ] [ 0.522212 0.137372 0.09183 ] [ 0.522212 0.362628 0.59183 ] [ 0.839271 0.771429 0.755174 ] [ 0.839271 0.728571 0.255174 ] [ 0.160729 0.228571 0.244826 ] [ 0.160729 0.271429 0.744826 ] [ 0.227932 0.633439 0.621728 ] [ 0.227932 0.866561 0.121728 ] [ 0.772068 0.366561 0.378272 ] [ 0.772068 0.133439 0.878272 ] [ 0.267888 0.594944 0.904625 ] [ 0.267888 0.905056 0.404625 ] [ 0.732112 0.405056 0.095375 ] [ 0.732112 0.094944 0.595375 ] [ 0.621871 0.568693 0.906479 ] [ 0.621871 0.931307 0.406479 ] [ 0.378129 0.431307 0.093521 ] [ 0.378129 0.068693 0.593521 ] [ 0.092922 0.908566 0.623699 ] [ 0.092922 0.591434 0.123699 ] [ 0.907078 0.091434 0.376301 ] [ 0.907078 0.408566 0.876301 ] ] } "species" { "source-value" [ "Sn" "Sn" "Sn" "Sn" "H" "H" "H" "H" "H" "H" "H" "H" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "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" 6.34716329 "source-unit" "angstrom" } "b" { "source-value" 11.05284 "source-unit" "angstrom" } "c" { "source-value" 11.65852765 "source-unit" "angstrom" } "beta" { "source-value" 116.42548804 "source-unit" "degree" } }