{ "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" [ [ 0.793976 0.304615 0.528278 ] [ 0.706024 0.804615 0.971722 ] [ 0.206024 0.695385 0.471722 ] [ 0.293976 0.195385 0.028278 ] [ 0.075233 0.785328 0.728343 ] [ 0.424767 0.285328 0.771657 ] [ 0.575233 0.714672 0.228343 ] [ 0.924767 0.214672 0.271657 ] [ 0.214411 0.391111 0.054506 ] [ 0.952019 0.315113 0.628095 ] [ 0.047981 0.684887 0.371905 ] [ 0.714411 0.108889 0.554506 ] [ 0.190214 0.02715 0.069137 ] [ 0.547981 0.815113 0.871905 ] [ 0.785589 0.608889 0.945494 ] [ 0.309786 0.52715 0.430863 ] [ 0.452019 0.184887 0.128095 ] [ 0.690214 0.47285 0.569137 ] [ 0.285589 0.891111 0.445494 ] [ 0.809786 0.97285 0.930863 ] [ 0.961987 0.676215 0.279718 ] [ 0.163591 0.510329 0.103835 ] [ 0.461987 0.823785 0.779718 ] [ 0.625047 0.574146 0.624579 ] [ 0.538013 0.176215 0.220282 ] [ 0.038013 0.323785 0.720282 ] [ 0.836409 0.489671 0.896165 ] [ 0.125047 0.925854 0.124579 ] [ 0.374953 0.425854 0.375421 ] [ 0.336409 0.010329 0.396165 ] [ 0.874953 0.074146 0.875421 ] [ 0.663591 0.989671 0.603835 ] [ 0.614086 0.541204 0.203292 ] [ 0.170968 0.665977 0.657617 ] [ 0.569704 0.247802 0.824062 ] [ 0.385914 0.458796 0.796708 ] [ 0.829032 0.334023 0.342383 ] [ 0.89742 0.259944 0.140646 ] [ 0.930296 0.747802 0.675938 ] [ 0.39742 0.240056 0.640646 ] [ 0.60258 0.759944 0.359354 ] [ 0.670968 0.834023 0.157617 ] [ 0.114086 0.958796 0.703292 ] [ 0.069704 0.252198 0.324062 ] [ 0.329032 0.165977 0.842383 ] [ 0.430296 0.752198 0.175938 ] [ 0.10258 0.740056 0.859354 ] [ 0.885914 0.041204 0.296708 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "B" "B" "B" "B" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.1942367223 "source-unit" "angstrom" } "b" { "source-value" 7.50389572 "source-unit" "angstrom" } "c" { "source-value" 10.3669577685 "source-unit" "angstrom" } "beta" { "source-value" 97.3769139444 "source-unit" "degree" } }