{ "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" [ [ 0.383644 0.811543 0.038685 ] [ 0.616356 0.188457 0.961315 ] [ 0.883644 0.688457 0.538685 ] [ 0.116356 0.311543 0.461315 ] [ 0 0 0 ] [ 0.5 0.5 0.5 ] [ 0.567166 0.655636 0.788286 ] [ 0.932834 0.155636 0.711714 ] [ 0.067166 0.844364 0.288286 ] [ 0.765037 0.922415 0.775388 ] [ 0.432834 0.344364 0.211714 ] [ 0.265037 0.577585 0.275388 ] [ 0.234963 0.077585 0.224612 ] [ 0.734963 0.422415 0.724612 ] [ 0.76298 0.660449 0.923263 ] [ 0.73702 0.160449 0.576737 ] [ 0.26298 0.839551 0.423263 ] [ 0.820088 0.906816 0.643903 ] [ 0.679912 0.406816 0.856097 ] [ 0.320088 0.593184 0.143903 ] [ 0.179912 0.093184 0.356097 ] [ 0.23702 0.339551 0.076737 ] [ 0.42649 0.652938 0.689448 ] [ 0.264439 0.065236 0.121709 ] [ 0.764439 0.434764 0.621709 ] [ 0.735561 0.934764 0.878291 ] [ 0.235561 0.565236 0.378291 ] [ 0.07351 0.152938 0.810552 ] [ 0.92649 0.847062 0.189448 ] [ 0.57351 0.347062 0.310552 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "Pt" "Pt" "C" "C" "C" "C" "C" "C" "C" "C" "S" "S" "S" "S" "S" "S" "S" "S" "N" "N" "N" "N" "N" "N" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.47118006117 "source-unit" "angstrom" } "b" { "source-value" 15.27173571 "source-unit" "angstrom" } "c" { "source-value" 11.3767931362 "source-unit" "angstrom" } "beta" { "source-value" 99.9220703542 "source-unit" "degree" } }