{ "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" [ [ 0.052245 0.519211 0.020399 ] [ 0.423051 0.226311 0.818623 ] [ 0.456687 0.392977 0.46066 ] [ 0.543313 0.892977 0.53934 ] [ 0.576949 0.726311 0.181377 ] [ 0.947755 0.019211 0.979601 ] [ 0.016268 0.688709 0.699081 ] [ 0.983732 0.188709 0.300919 ] [ 0.959559 0.258354 0.653791 ] [ 0.040441 0.758354 0.346209 ] [ 0.505366 0.733408 0.850772 ] [ 0.494634 0.233408 0.149228 ] [ 0.382333 0.689406 0.985841 ] [ 0.77855 0.758343 0.849475 ] [ 0.082736 0.102132 0.767169 ] [ 0.044566 0.456796 0.736953 ] [ 0.360233 0.757313 0.718482 ] [ 0.642635 0.237148 0.63163 ] [ 0.096104 0.254495 0.478526 ] [ 0.903896 0.754495 0.521474 ] [ 0.357365 0.737148 0.36837 ] [ 0.639767 0.257313 0.281518 ] [ 0.955434 0.956796 0.263047 ] [ 0.917264 0.602132 0.232831 ] [ 0.22145 0.258343 0.150525 ] [ 0.617667 0.189406 0.014159 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Be" "Be" "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" 4.78967212 "source-unit" "angstrom" } "b" { "source-value" 6.84458468 "source-unit" "angstrom" } "c" { "source-value" 8.15487524 "source-unit" "angstrom" } "beta" { "source-value" 90.13202058 "source-unit" "degree" } }