{ "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" [ [ 0.003457 0.690531 0.827772 ] [ 0.003457 0.809469 0.327772 ] [ 0.200281 0.792711 0.583934 ] [ 0.200281 0.707289 0.083934 ] [ 0.799719 0.292711 0.916066 ] [ 0.799719 0.207289 0.416066 ] [ 0.996543 0.190531 0.672228 ] [ 0.996543 0.309469 0.172228 ] [ 0.153465 0.173595 0.940599 ] [ 0.153465 0.326405 0.440599 ] [ 0.846535 0.673595 0.559401 ] [ 0.846535 0.826405 0.059401 ] [ 0.496645 0.763752 0.876 ] [ 0.503355 0.263752 0.624 ] [ 0.496645 0.736248 0.376 ] [ 0.503355 0.236248 0.124 ] [ 0.031635 0.30146 0.853385 ] [ 0.031635 0.19854 0.353385 ] [ 0.211031 0.910472 0.919695 ] [ 0.211031 0.589528 0.419695 ] [ 0.219364 0.198749 0.562222 ] [ 0.452524 0.645297 0.684015 ] [ 0.219364 0.301251 0.062222 ] [ 0.452524 0.854703 0.184015 ] [ 0.547476 0.145297 0.815985 ] [ 0.780636 0.698749 0.937778 ] [ 0.547476 0.354703 0.315985 ] [ 0.780636 0.801251 0.437778 ] [ 0.788969 0.410472 0.580305 ] [ 0.788969 0.089528 0.080305 ] [ 0.968365 0.80146 0.646615 ] [ 0.968365 0.69854 0.146615 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "B" "B" "B" "B" "Sb" "Sb" "Sb" "Sb" "O" "O" "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" 7.54377967 "source-unit" "angstrom" } "b" { "source-value" 4.93817529 "source-unit" "angstrom" } "c" { "source-value" 10.34515834 "source-unit" "angstrom" } "beta" { "source-value" 97.6129143 "source-unit" "degree" } }