{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cm2m" } "basis-atom-coordinates" { "source-value" [ [ 0.5 0.985032 0.208957 ] [ 0.5 0.985032 0.791043 ] [ 0.5 0.485032 0.708957 ] [ 0.5 0.485032 0.291043 ] [ 0 0.909128 0 ] [ 0.5 0.601497 0 ] [ 0 0.409128 0.5 ] [ 0.5 0.101497 0.5 ] [ 0 0.161621 0.294771 ] [ 0 0.161621 0.705229 ] [ 0.5 0.24121 0 ] [ 0 0.661621 0.794771 ] [ 0 0.661621 0.205229 ] [ 0.5 0.74121 0.5 ] [ 0 0.076697 0.180657 ] [ 0 0.076697 0.819343 ] [ 0.219926 0.712287 0.85636 ] [ 0.219926 0.712287 0.14364 ] [ 0.5 0.336913 0.88656 ] [ 0.5 0.054984 0 ] [ 0.5 0.336913 0.11344 ] [ 0.780074 0.712287 0.85636 ] [ 0.780074 0.712287 0.14364 ] [ 0 0.576697 0.680657 ] [ 0 0.576697 0.319343 ] [ 0.219926 0.212287 0.35636 ] [ 0.219926 0.212287 0.64364 ] [ 0.5 0.836913 0.38656 ] [ 0.5 0.554984 0.5 ] [ 0.5 0.836913 0.61344 ] [ 0.780074 0.212287 0.35636 ] [ 0.780074 0.212287 0.64364 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Fe" "Fe" "Fe" "Fe" "C" "C" "C" "C" "C" "C" "O" "O" "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" 5.05385292 "source-unit" "angstrom" } "b" { "source-value" 7.00922588 "source-unit" "angstrom" } "c" { "source-value" 9.78832056 "source-unit" "angstrom" } }