{ "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" [ [ 0.542494 0.754042 0.90956 ] [ 0.042494 0.254042 0.59044 ] [ 0.957506 0.754042 0.40956 ] [ 0.457506 0.254042 0.09044 ] [ 0.984367 0.010092 0.985234 ] [ 0.015633 0.510092 0.014766 ] [ 0.487454 0.237854 0.772676 ] [ 0.987454 0.737854 0.727324 ] [ 0.515633 0.010092 0.485234 ] [ 0.484367 0.510092 0.514766 ] [ 0.012546 0.237854 0.272676 ] [ 0.512546 0.737854 0.227324 ] [ 0.246568 0.252242 0.926463 ] [ 0.173129 0.750835 0.90391 ] [ 0.745632 0.995156 0.827014 ] [ 0.245632 0.495156 0.672986 ] [ 0.673129 0.250835 0.59609 ] [ 0.746568 0.752242 0.573537 ] [ 0.253432 0.252242 0.426463 ] [ 0.326871 0.750835 0.40391 ] [ 0.754368 0.995156 0.327014 ] [ 0.254368 0.495156 0.172986 ] [ 0.826871 0.250835 0.09609 ] [ 0.753432 0.752242 0.073537 ] [ 0.742559 0.499503 0.838463 ] [ 0.242559 0.999503 0.661537 ] [ 0.757441 0.499503 0.338463 ] [ 0.257441 0.999503 0.161537 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "V" "V" "V" "V" "V" "V" "V" "V" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 4.95049076 "source-unit" "angstrom" } "b" { "source-value" 5.92856241 "source-unit" "angstrom" } "c" { "source-value" 10.227483 "source-unit" "angstrom" } }