{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.00116 0.514816 0.99255 ] [ 0.536407 0.820376 0.823473 ] [ 0.497471 0.506983 0.516479 ] [ 0.502529 0.006983 0.483521 ] [ 0.463593 0.320376 0.176527 ] [ 0.99884 0.014816 0.00745 ] [ 0.975304 0.252574 0.709008 ] [ 0.024696 0.752574 0.290992 ] [ 0.017093 0.757951 0.649735 ] [ 0.982907 0.257951 0.350265 ] [ 0.508744 0.260668 0.860523 ] [ 0.491256 0.760668 0.139477 ] [ 0.676669 0.264212 0.964004 ] [ 0.273839 0.25236 0.893241 ] [ 0.931854 0.940872 0.747143 ] [ 0.961386 0.563911 0.740965 ] [ 0.573653 0.260325 0.725196 ] [ 0.297065 0.775535 0.619915 ] [ 0.858631 0.754818 0.50677 ] [ 0.141369 0.254818 0.49323 ] [ 0.702935 0.275535 0.380085 ] [ 0.426347 0.760325 0.274804 ] [ 0.038614 0.063911 0.259035 ] [ 0.068146 0.440872 0.252857 ] [ 0.726161 0.75236 0.106759 ] [ 0.323331 0.764212 0.035996 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Cr" "Cr" "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" 5.38555446 "source-unit" "angstrom" } "b" { "source-value" 6.57713105 "source-unit" "angstrom" } "c" { "source-value" 9.19430954 "source-unit" "angstrom" } "beta" { "source-value" 91.02697888 "source-unit" "degree" } }