{ "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" [ [ 0.325954 0.5 0.273489 ] [ 0.5 0 0.5 ] [ 0.174046 0 0.726511 ] [ 0.825954 0 0.273489 ] [ 0 0.5 0.5 ] [ 0.674046 0.5 0.726511 ] [ 0 0.5 0 ] [ 0.5 0 0 ] [ 0.35036 0.5 0.762516 ] [ 0.14964 0 0.237484 ] [ 0.85036 0 0.762516 ] [ 0.64964 0.5 0.237484 ] [ 0.033524 0.228823 0.231074 ] [ 0.254473 0 0.436274 ] [ 0.966476 0.228823 0.768926 ] [ 0.466476 0.271177 0.768926 ] [ 0.258077 0 0.033605 ] [ 0.533524 0.271177 0.231074 ] [ 0.241923 0.5 0.966395 ] [ 0.245527 0.5 0.563726 ] [ 0.533524 0.728823 0.231074 ] [ 0.754473 0.5 0.436274 ] [ 0.466476 0.728823 0.768926 ] [ 0.966476 0.771177 0.768926 ] [ 0.758077 0.5 0.033605 ] [ 0.033524 0.771177 0.231074 ] [ 0.741923 0 0.966395 ] [ 0.745527 0 0.563726 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "V" "V" "P" "P" "P" "P" "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" 8.21151791286 "source-unit" "angstrom" } "b" { "source-value" 5.47593141 "source-unit" "angstrom" } "c" { "source-value" 6.28559256275 "source-unit" "angstrom" } "beta" { "source-value" 90.3438128795 "source-unit" "degree" } }