{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pc" } "basis-atom-coordinates" { "source-value" [ [ 0.989145 0.254572 0.151131 ] [ 0.560607 0.245441 0.410427 ] [ 0.560607 0.754559 0.910427 ] [ 0.073045 0.753104 0.406916 ] [ 0.989145 0.745428 0.651131 ] [ 0.073045 0.246896 0.906916 ] [ 0.542188 0.413032 0.867555 ] [ 0.968651 0.406529 0.628116 ] [ 0.968651 0.593471 0.128116 ] [ 0.542188 0.586968 0.367555 ] [ 0.477702 0.923494 0.640957 ] [ 0.047607 0.916382 0.88774 ] [ 0.047607 0.083618 0.38774 ] [ 0.477702 0.076506 0.140957 ] [ 0.042935 0.419572 0.372967 ] [ 0.456691 0.58275 0.625553 ] [ 0.456691 0.41725 0.125553 ] [ 0.042935 0.580428 0.872967 ] [ 0.965778 0.919439 0.125098 ] [ 0.546466 0.083438 0.879798 ] [ 0.546466 0.916562 0.379798 ] [ 0.965778 0.080561 0.625098 ] [ 0.15713 0.289216 0.352855 ] [ 0.355511 0.457369 0.667163 ] [ 0.694579 0.430325 0.099321 ] [ 0.319836 0.28269 0.11115 ] [ 0.83726 0.41882 0.423329 ] [ 0.83726 0.58118 0.923329 ] [ 0.123769 0.557653 0.34027 ] [ 0.123769 0.442347 0.84027 ] [ 0.319836 0.71731 0.61115 ] [ 0.355511 0.542631 0.167163 ] [ 0.694579 0.569675 0.599321 ] [ 0.82848 0.781792 0.118019 ] [ 0.15713 0.710784 0.852855 ] [ 0.311011 0.916167 0.405526 ] [ 0.630976 0.945191 0.844927 ] [ 0.698853 0.788844 0.390513 ] [ 0.872358 0.047009 0.1622 ] [ 0.872358 0.952991 0.6622 ] [ 0.181883 0.922377 0.086867 ] [ 0.181883 0.077623 0.586867 ] [ 0.698853 0.211156 0.890513 ] [ 0.311011 0.083833 0.905526 ] [ 0.630976 0.054809 0.344927 ] [ 0.82848 0.218208 0.618019 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "Co" "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" "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" 5.21697104 "source-unit" "angstrom" } "b" { "source-value" 8.92680313 "source-unit" "angstrom" } "c" { "source-value" 11.25478913 "source-unit" "angstrom" } "beta" { "source-value" 115.89544494 "source-unit" "degree" } }