{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.239183 0.75 0.083937 ] [ 0.746341 0.996435 0.253162 ] [ 0.746341 0.503565 0.253162 ] [ 0.253659 0.496435 0.746838 ] [ 0.253659 0.003565 0.746838 ] [ 0.760817 0.25 0.916063 ] [ 0.210434 0.25 0.33894 ] [ 0.789566 0.75 0.66106 ] [ 0.279083 0.75 0.427214 ] [ 0.720917 0.25 0.572786 ] [ 0.262804 0.25 0.065646 ] [ 0.737196 0.75 0.934354 ] [ 0.686708 0.75 0.081215 ] [ 0.027209 0.25 0.129103 ] [ 0.453284 0.25 0.181591 ] [ 0.213159 0.94747 0.323634 ] [ 0.213159 0.55253 0.323634 ] [ 0.575354 0.75 0.48302 ] [ 0.891673 0.25 0.420763 ] [ 0.108327 0.75 0.579237 ] [ 0.424646 0.25 0.51698 ] [ 0.786841 0.44747 0.676366 ] [ 0.786841 0.05253 0.676366 ] [ 0.546716 0.75 0.818409 ] [ 0.972791 0.75 0.870897 ] [ 0.313292 0.25 0.918785 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "V" "V" "Si" "Si" "B" "B" "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" 5.33966485 "source-unit" "angstrom" } "b" { "source-value" 6.633422 "source-unit" "angstrom" } "c" { "source-value" 8.91609048 "source-unit" "angstrom" } "beta" { "source-value" 91.53858171 "source-unit" "degree" } }