{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2/c" } "basis-atom-coordinates" { "source-value" [ [ 0 0.752797 0.75 ] [ 0 0.247203 0.25 ] [ 0.48825 0.900578 0.854165 ] [ 0.51175 0.900578 0.645835 ] [ 0.48825 0.099422 0.354165 ] [ 0.51175 0.099422 0.145835 ] [ 0.266818 0.354454 0.529066 ] [ 0.266818 0.645546 0.029066 ] [ 0.733182 0.354454 0.970934 ] [ 0.733182 0.645546 0.470934 ] [ 0.215569 0.196533 0.960199 ] [ 0.215569 0.803467 0.460199 ] [ 0.5 0.392553 0.75 ] [ 0.5 0.607447 0.25 ] [ 0.784431 0.196533 0.539801 ] [ 0.784431 0.803467 0.039801 ] [ 0.070787 0.386958 0.919657 ] [ 0.070787 0.613042 0.419657 ] [ 0.193383 0.947211 0.940014 ] [ 0.193383 0.052789 0.440014 ] [ 0.39106 0.708297 0.530866 ] [ 0.39106 0.291703 0.030866 ] [ 0.407648 0.245576 0.665955 ] [ 0.407648 0.754424 0.165955 ] [ 0.5 0.649254 0.75 ] [ 0.5 0.350746 0.25 ] [ 0.592352 0.245576 0.834045 ] [ 0.592352 0.754424 0.334045 ] [ 0.60894 0.708297 0.969134 ] [ 0.60894 0.291703 0.469134 ] [ 0.806617 0.947211 0.559986 ] [ 0.806617 0.052789 0.059986 ] [ 0.929213 0.386958 0.580343 ] [ 0.929213 0.613042 0.080343 ] ] } "species" { "source-value" [ "Rb" "Rb" "Li" "Li" "Li" "Li" "Cr" "Cr" "Cr" "Cr" "B" "B" "B" "B" "B" "B" "O" "O" "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" 5.67268182 "source-unit" "angstrom" } "b" { "source-value" 5.29532387 "source-unit" "angstrom" } "c" { "source-value" 12.93151345 "source-unit" "angstrom" } "beta" { "source-value" 92.3722455 "source-unit" "degree" } }