{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pn2_1a" } "basis-atom-coordinates" { "source-value" [ [ 0.25785 0.04766 0.720273 ] [ 0.744125 0.883938 0.571989 ] [ 0.244125 0.616062 0.071989 ] [ 0.75785 0.45234 0.220273 ] [ 0.25785 0.54766 0.779727 ] [ 0.744125 0.383938 0.928011 ] [ 0.244125 0.116062 0.428011 ] [ 0.75785 0.95234 0.279727 ] [ 0.741616 0.803976 0.948995 ] [ 0.241616 0.696024 0.448995 ] [ 0.741616 0.303976 0.551005 ] [ 0.241616 0.196024 0.051005 ] [ 0.009913 0.844406 0.420687 ] [ 0.509913 0.655594 0.920687 ] [ 0.009913 0.344406 0.079313 ] [ 0.509913 0.155594 0.579313 ] [ 0.054164 0.977309 0.994815 ] [ 0.774737 0.899037 0.764886 ] [ 0.512849 0.866597 0.413302 ] [ 0.28179 0.758842 0.649223 ] [ 0.78179 0.741158 0.149223 ] [ 0.012849 0.633403 0.913302 ] [ 0.274737 0.600963 0.264886 ] [ 0.554164 0.522691 0.494815 ] [ 0.054164 0.477309 0.505185 ] [ 0.774737 0.399037 0.735114 ] [ 0.512849 0.366597 0.086698 ] [ 0.28179 0.258842 0.850777 ] [ 0.78179 0.241158 0.350777 ] [ 0.012849 0.133403 0.586698 ] [ 0.274737 0.100963 0.235114 ] [ 0.554164 0.022691 0.005185 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "V" "V" "V" "V" "O" "O" "O" "O" "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" 5.42919501 "source-unit" "angstrom" } "b" { "source-value" 7.22568878 "source-unit" "angstrom" } "c" { "source-value" 9.62198028 "source-unit" "angstrom" } }