{ "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" [ [ 0.232119 0.498539 0.212087 ] [ 0.232119 0.001461 0.212087 ] [ 0.767881 0.501461 0.787913 ] [ 0.767881 0.998539 0.787913 ] [ 0.776287 0.75 0.366546 ] [ 0.223713 0.25 0.633454 ] [ 0.705305 0.25 0.417664 ] [ 0.294695 0.75 0.582336 ] [ 0.732227 0.75 0.069976 ] [ 0.267773 0.25 0.930024 ] [ 0.29904 0.25 0.065532 ] [ 0.957128 0.75 0.134787 ] [ 0.536169 0.75 0.160455 ] [ 0.810122 0.067811 0.344043 ] [ 0.810122 0.432189 0.344043 ] [ 0.210715 0.75 0.417113 ] [ 0.407474 0.25 0.413031 ] [ 0.592526 0.75 0.586969 ] [ 0.789285 0.25 0.582887 ] [ 0.189878 0.567811 0.655957 ] [ 0.189878 0.932189 0.655957 ] [ 0.463831 0.25 0.839545 ] [ 0.042872 0.25 0.865213 ] [ 0.70096 0.75 0.934468 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Ho" "Ho" "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" 5.24057822 "source-unit" "angstrom" } "b" { "source-value" 6.97827621 "source-unit" "angstrom" } "c" { "source-value" 9.22181204 "source-unit" "angstrom" } "beta" { "source-value" 90.95416238 "source-unit" "degree" } }