{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Imcm" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0 0.5 ] [ 0 0 0.5 ] [ 0 0.5 0 ] [ 0.5 0.5 0 ] [ 0.75 0.75 0.25 ] [ 0.75 0.25 0.25 ] [ 0.25 0.25 0.75 ] [ 0.25 0.75 0.75 ] [ 0.25 0 0.109377 ] [ 0.25 0.5 0.390623 ] [ 0.75 0.5 0.609377 ] [ 0.75 0 0.890623 ] [ 0.008702 0 0.239363 ] [ 0.008702 0.5 0.260637 ] [ 0.25 0.760339 0.994228 ] [ 0.75 0.739661 0.494228 ] [ 0.491298 0 0.239363 ] [ 0.491298 0.5 0.260637 ] [ 0.25 0.739661 0.505772 ] [ 0.75 0.760339 0.005772 ] [ 0.508702 0.5 0.739363 ] [ 0.508702 0 0.760637 ] [ 0.75 0.260339 0.494228 ] [ 0.25 0.239661 0.994228 ] [ 0.991298 0.5 0.739363 ] [ 0.991298 0 0.760637 ] [ 0.75 0.239661 0.005772 ] [ 0.25 0.260339 0.505772 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Co" "Co" "Co" "Co" "Si" "Si" "Si" "Si" "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" 5.57675558 "source-unit" "angstrom" } "b" { "source-value" 5.79042591 "source-unit" "angstrom" } "c" { "source-value" 7.82830454 "source-unit" "angstrom" } }