{ "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" [ [ 0.77422 0.481004 0.200003 ] [ 0.77422 0.018996 0.200003 ] [ 0.22578 0.518996 0.799997 ] [ 0.22578 0.981004 0.799997 ] [ 0.219008 0.25 0.349145 ] [ 0.780992 0.75 0.650855 ] [ 0.269807 0.25 0.061788 ] [ 0.730193 0.75 0.938212 ] [ 0.28126 0.75 0.418806 ] [ 0.71874 0.25 0.581194 ] [ 0.70881 0.75 0.085393 ] [ 0.036454 0.25 0.125919 ] [ 0.47807 0.25 0.161743 ] [ 0.182599 0.934629 0.32896 ] [ 0.182599 0.565371 0.32896 ] [ 0.822002 0.25 0.420215 ] [ 0.58102 0.75 0.434718 ] [ 0.41898 0.25 0.565282 ] [ 0.177998 0.75 0.579785 ] [ 0.817401 0.434629 0.67104 ] [ 0.817401 0.065371 0.67104 ] [ 0.52193 0.75 0.838257 ] [ 0.963546 0.75 0.874081 ] [ 0.29119 0.25 0.914607 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Ni" "Ni" "C" "C" "S" "S" "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" 4.99166831 "source-unit" "angstrom" } "b" { "source-value" 6.37814291 "source-unit" "angstrom" } "c" { "source-value" 8.56669079 "source-unit" "angstrom" } "beta" { "source-value" 92.80256271 "source-unit" "degree" } }