{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0.5 ] [ 0 0.5 0 ] [ 0.5 0 0.5 ] [ 0.5 0 0 ] [ 0.836339 0 0.190912 ] [ 0.663661 0.5 0.809088 ] [ 0.336339 0.5 0.190912 ] [ 0.163661 0 0.809088 ] [ 0.82759 0.5 0.37592 ] [ 0.675686 0 0.043607 ] [ 0.67241 0 0.62408 ] [ 0.025383 0 0.763761 ] [ 0.974617 0 0.236239 ] [ 0.824314 0.5 0.956393 ] [ 0.32759 0 0.37592 ] [ 0.175686 0.5 0.043607 ] [ 0.17241 0.5 0.62408 ] [ 0.525383 0.5 0.763761 ] [ 0.474617 0.5 0.236239 ] [ 0.324314 0 0.956393 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "V" "V" "V" "V" "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" 12.87040283 "source-unit" "angstrom" } "b" { "source-value" 2.88985469 "source-unit" "angstrom" } "c" { "source-value" 6.0681634 "source-unit" "angstrom" } "beta" { "source-value" 104.03132845 "source-unit" "degree" } }