{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/c" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0 0.554873 0.75 ] [ 0 0.445127 0.25 ] [ 0.5 0.054873 0.75 ] [ 0.5 0.945127 0.25 ] [ 0.006704 0.330455 0.940592 ] [ 0.259127 0.040808 0.639147 ] [ 0 0.841664 0.75 ] [ 0.740873 0.040808 0.860853 ] [ 0.993296 0.330455 0.559408 ] [ 0.006704 0.669545 0.440592 ] [ 0.259127 0.959192 0.139147 ] [ 0 0.158336 0.25 ] [ 0.740873 0.959192 0.360853 ] [ 0.993296 0.669545 0.059408 ] [ 0.506704 0.830455 0.940592 ] [ 0.759127 0.540808 0.639147 ] [ 0.5 0.341664 0.75 ] [ 0.240873 0.540808 0.860853 ] [ 0.493296 0.830455 0.559408 ] [ 0.506704 0.169545 0.440592 ] [ 0.759127 0.459192 0.139147 ] [ 0.5 0.658336 0.25 ] [ 0.240873 0.459192 0.360853 ] [ 0.493296 0.169545 0.059408 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "V" "V" "V" "V" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.32381412 "source-unit" "angstrom" } "b" { "source-value" 6.42387574 "source-unit" "angstrom" } "c" { "source-value" 6.795097 "source-unit" "angstrom" } "beta" { "source-value" 112.97344763 "source-unit" "degree" } }