{ "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" [ [ 0.032734 0.316709 0.692406 ] [ 0.032734 0.183291 0.192406 ] [ 0.967266 0.816709 0.807594 ] [ 0.967266 0.683291 0.307594 ] [ 0.22795 0.100461 0.782904 ] [ 0.22795 0.399539 0.282904 ] [ 0.77205 0.600461 0.717096 ] [ 0.77205 0.899539 0.217096 ] [ 0.32496 0.47167 0.637787 ] [ 0.452075 0.380849 0.641297 ] [ 0.32496 0.02833 0.137787 ] [ 0.547925 0.880849 0.858703 ] [ 0.452075 0.119151 0.141297 ] [ 0.67504 0.97167 0.862213 ] [ 0.547925 0.619151 0.358703 ] [ 0.67504 0.52833 0.362213 ] [ 0.005334 0.963945 0.574166 ] [ 0.005334 0.536055 0.074166 ] [ 0.297592 0.649256 0.714449 ] [ 0.297592 0.850744 0.214449 ] [ 0.445455 0.73115 0.74668 ] [ 0.445455 0.76885 0.24668 ] [ 0.554545 0.23115 0.75332 ] [ 0.554545 0.26885 0.25332 ] [ 0.702408 0.149256 0.785551 ] [ 0.702408 0.350744 0.285551 ] [ 0.994666 0.463945 0.925834 ] [ 0.994666 0.036055 0.425834 ] [ 0.0997 0.396097 0.982534 ] [ 0.082387 0.659442 0.67534 ] [ 0.117123 0.976829 0.741729 ] [ 0.0997 0.103903 0.482534 ] [ 0.082387 0.840558 0.17534 ] [ 0.117123 0.523171 0.241729 ] [ 0.343634 0.222611 0.765777 ] [ 0.351892 0.799275 0.785081 ] [ 0.310508 0.413111 0.586237 ] [ 0.407746 0.579719 0.729349 ] [ 0.343634 0.277389 0.265777 ] [ 0.351892 0.700725 0.285081 ] [ 0.310508 0.086889 0.086237 ] [ 0.407746 0.920281 0.229349 ] [ 0.592254 0.079719 0.770651 ] [ 0.689492 0.913111 0.913763 ] [ 0.648108 0.299275 0.714919 ] [ 0.656366 0.722611 0.734223 ] [ 0.592254 0.420281 0.270651 ] [ 0.689492 0.586889 0.413763 ] [ 0.648108 0.200725 0.214919 ] [ 0.656366 0.777389 0.234223 ] [ 0.882877 0.476829 0.758271 ] [ 0.917613 0.159442 0.82466 ] [ 0.9003 0.896097 0.517466 ] [ 0.882877 0.023171 0.258271 ] [ 0.917613 0.340558 0.32466 ] [ 0.9003 0.603903 0.017466 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Co" "Co" "Co" "Co" "H" "H" "H" "H" "H" "H" "H" "H" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 5.9234534 "source-unit" "angstrom" } "b" { "source-value" 15.7955074 "source-unit" "angstrom" } "c" { "source-value" 7.06575402 "source-unit" "angstrom" } "beta" { "source-value" 100.03424358 "source-unit" "degree" } }