{ "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" [ [ 0.029006 0.229692 0.695379 ] [ 0.970994 0.729692 0.304621 ] [ 0.984098 0.511336 0.989556 ] [ 0.502843 0.811239 0.85049 ] [ 0.531366 0.490283 0.522038 ] [ 0.468634 0.990283 0.477962 ] [ 0.497157 0.311239 0.14951 ] [ 0.015902 0.011336 0.010444 ] [ 0.984616 0.765746 0.684825 ] [ 0.015384 0.265746 0.315175 ] [ 0.521836 0.260585 0.857627 ] [ 0.478164 0.760585 0.142373 ] [ 0.720191 0.286723 0.952002 ] [ 0.293138 0.205601 0.914584 ] [ 0.86022 0.919198 0.801867 ] [ 0.044047 0.561371 0.764216 ] [ 0.547299 0.285068 0.709134 ] [ 0.246043 0.860746 0.625772 ] [ 0.78521 0.737809 0.548348 ] [ 0.21479 0.237809 0.451652 ] [ 0.753957 0.360746 0.374228 ] [ 0.452701 0.785068 0.290866 ] [ 0.955953 0.061371 0.235784 ] [ 0.13978 0.419198 0.198133 ] [ 0.706862 0.705601 0.085416 ] [ 0.279809 0.786723 0.047998 ] ] } "species" { "source-value" [ "Yb" "Yb" "Li" "Li" "Li" "Li" "Li" "Li" "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" 5.03366051 "source-unit" "angstrom" } "b" { "source-value" 6.61229381 "source-unit" "angstrom" } "c" { "source-value" 8.61319275 "source-unit" "angstrom" } "beta" { "source-value" 90.23384735 "source-unit" "degree" } }