{ "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" [ [ 0.623215 0.471854 0.165999 ] [ 0.876785 0.971854 0.334001 ] [ 0.376785 0.528146 0.834001 ] [ 0.123215 0.028146 0.665999 ] [ 0.993964 0.54442 0.213327 ] [ 0.506036 0.04442 0.286673 ] [ 0.006036 0.45558 0.786673 ] [ 0.493964 0.95558 0.713327 ] [ 0.949665 0.290889 0.267876 ] [ 0.550335 0.790889 0.232124 ] [ 0.050335 0.709111 0.732124 ] [ 0.449665 0.209111 0.767876 ] [ 0.502531 0.130461 0.952803 ] [ 0.570709 0.128628 0.479595 ] [ 0.497469 0.869539 0.047197 ] [ 0.002531 0.369539 0.452803 ] [ 0.114271 0.078529 0.904473 ] [ 0.385729 0.578529 0.595527 ] [ 0.885729 0.921471 0.095527 ] [ 0.614271 0.421471 0.404473 ] [ 0.070709 0.371372 0.979595 ] [ 0.429291 0.871372 0.520405 ] [ 0.929291 0.628628 0.020405 ] [ 0.997469 0.630461 0.547197 ] [ 0.612185 0.279065 0.612258 ] [ 0.387815 0.720935 0.387742 ] [ 0.887815 0.779065 0.887742 ] [ 0.112185 0.220935 0.112258 ] [ 0.483101 0.826922 0.311454 ] [ 0.608968 0.97006 0.344166 ] [ 0.108968 0.52994 0.844166 ] [ 0.391032 0.02994 0.655834 ] [ 0.016899 0.326922 0.188546 ] [ 0.891032 0.47006 0.155834 ] [ 0.983101 0.673078 0.811454 ] [ 0.516899 0.173078 0.688546 ] [ 0.605729 0.238729 0.501895 ] [ 0.229596 0.67064 0.579178 ] [ 0.270404 0.17064 0.920822 ] [ 0.770404 0.32936 0.420822 ] [ 0.105729 0.261271 0.001895 ] [ 0.394271 0.761271 0.498105 ] [ 0.894271 0.738729 0.998105 ] [ 0.729596 0.82936 0.079178 ] [ 0.20378 0.091561 0.143985 ] [ 0.29622 0.591561 0.356015 ] [ 0.79622 0.908439 0.856015 ] [ 0.70378 0.408439 0.643985 ] ] } "species" { "source-value" [ "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "H" "C" "C" "C" "C" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "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" 3.80535375864 "source-unit" "angstrom" } "b" { "source-value" 8.90660183 "source-unit" "angstrom" } "c" { "source-value" 11.9532565855 "source-unit" "angstrom" } "beta" { "source-value" 90.2959946152 "source-unit" "degree" } }