{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmc2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.243423 0.598527 ] [ 0.5 0.756577 0.098527 ] [ 0 0.236417 0.237118 ] [ 0 0.763583 0.737118 ] [ 0 0.777259 0.41652 ] [ 0 0.222741 0.91652 ] [ 0 0.389446 0.031547 ] [ 0 0.047807 0.436024 ] [ 0 0.672621 0.282872 ] [ 0 0.610554 0.531547 ] [ 0 0.327379 0.782872 ] [ 0 0.952193 0.936024 ] [ 0.5 0.099664 0.197593 ] [ 0.5 0.900336 0.697593 ] ] } "species" { "source-value" [ "Li" "Li" "Cu" "Cu" "C" "C" "O" "O" "O" "O" "O" "O" "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" 3.68653201 "source-unit" "angstrom" } "b" { "source-value" 4.78390709 "source-unit" "angstrom" } "c" { "source-value" 8.8805884 "source-unit" "angstrom" } }