{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.231158 0.499839 0.207748 ] [ 0.231158 0.000161 0.207748 ] [ 0.768842 0.500161 0.792252 ] [ 0.768842 0.999839 0.792252 ] [ 0.776251 0.75 0.370138 ] [ 0.223749 0.25 0.629862 ] [ 0.70536 0.25 0.417537 ] [ 0.29464 0.75 0.582463 ] [ 0.731088 0.75 0.072325 ] [ 0.268912 0.25 0.927675 ] [ 0.299786 0.25 0.062316 ] [ 0.957469 0.75 0.135889 ] [ 0.535791 0.75 0.162455 ] [ 0.817294 0.068967 0.347318 ] [ 0.817294 0.431033 0.347318 ] [ 0.224318 0.75 0.416511 ] [ 0.406496 0.25 0.406692 ] [ 0.593504 0.75 0.593308 ] [ 0.775682 0.25 0.583489 ] [ 0.182706 0.568967 0.652682 ] [ 0.182706 0.931033 0.652682 ] [ 0.464209 0.25 0.837545 ] [ 0.042531 0.25 0.864111 ] [ 0.700214 0.75 0.937684 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Y" "Y" "P" "P" "C" "C" "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" 5.22591741 "source-unit" "angstrom" } "b" { "source-value" 7.00359684 "source-unit" "angstrom" } "c" { "source-value" 9.28664889 "source-unit" "angstrom" } "beta" { "source-value" 90.68082857 "source-unit" "degree" } }