{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.232819 0.436744 0.159476 ] [ 0.232819 0.063256 0.159476 ] [ 0.422959 0.75 0.490864 ] [ 0.577041 0.25 0.509136 ] [ 0.767181 0.936744 0.840524 ] [ 0.767181 0.563256 0.840524 ] [ 0.249944 0.75 0.879876 ] [ 0.750056 0.25 0.120124 ] [ 0.023677 0.75 0.228373 ] [ 0.130381 0.25 0.467431 ] [ 0.273789 0.452402 0.721223 ] [ 0.273789 0.047598 0.721223 ] [ 0.726211 0.952402 0.278777 ] [ 0.726211 0.547598 0.278777 ] [ 0.869619 0.75 0.532569 ] [ 0.976323 0.25 0.771627 ] [ 0.125641 0.106881 0.844161 ] [ 0.125641 0.393119 0.844161 ] [ 0.080922 0.75 0.446704 ] [ 0.078386 0.25 0.248374 ] [ 0.286695 0.387082 0.539185 ] [ 0.286695 0.112918 0.539185 ] [ 0.242775 0.75 0.152677 ] [ 0.410533 0.919118 0.785749 ] [ 0.410533 0.580882 0.785749 ] [ 0.589467 0.080882 0.214251 ] [ 0.589467 0.419118 0.214251 ] [ 0.757225 0.25 0.847323 ] [ 0.713305 0.887082 0.460815 ] [ 0.713305 0.612918 0.460815 ] [ 0.921614 0.75 0.751626 ] [ 0.919078 0.25 0.553296 ] [ 0.874359 0.893119 0.155839 ] [ 0.874359 0.606881 0.155839 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Fe" "Fe" "B" "B" "B" "B" "B" "B" "B" "B" "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" 5.71332487 "source-unit" "angstrom" } "b" { "source-value" 8.71526495 "source-unit" "angstrom" } "c" { "source-value" 6.7872105 "source-unit" "angstrom" } "beta" { "source-value" 101.47918582 "source-unit" "degree" } }