{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cc" } "basis-atom-coordinates" { "source-value" [ [ 0.009959 0.803916 0.043341 ] [ 0.299527 0.099067 0.039682 ] [ 0.999616 0.666576 0.25993 ] [ 0.710911 0.097925 0.042966 ] [ 0.299527 0.900933 0.539682 ] [ 0.710911 0.902075 0.542966 ] [ 0.001231 0.001812 0.473988 ] [ 0.999616 0.333424 0.75993 ] [ 0.001231 0.998188 0.973988 ] [ 0.009959 0.196084 0.543341 ] [ 0.509959 0.303916 0.043341 ] [ 0.799527 0.599067 0.039682 ] [ 0.499616 0.166576 0.25993 ] [ 0.210911 0.597925 0.042966 ] [ 0.799527 0.400933 0.539682 ] [ 0.210911 0.402075 0.542966 ] [ 0.501231 0.501812 0.473988 ] [ 0.499616 0.833424 0.75993 ] [ 0.501231 0.498188 0.973988 ] [ 0.509959 0.696084 0.543341 ] [ 0.997044 0.669787 0.515026 ] [ 0.997044 0.330213 0.015026 ] [ 0.00103 0.832913 0.773175 ] [ 0.254552 0.085188 0.774047 ] [ 0.745029 0.086548 0.77201 ] [ 0.254552 0.914812 0.274047 ] [ 0.745029 0.913452 0.27201 ] [ 0.00103 0.167087 0.273175 ] [ 0.497044 0.169787 0.515026 ] [ 0.497044 0.830213 0.015026 ] [ 0.50103 0.332913 0.773175 ] [ 0.754552 0.585188 0.774047 ] [ 0.245029 0.586548 0.77201 ] [ 0.754552 0.414812 0.274047 ] [ 0.245029 0.413452 0.27201 ] [ 0.50103 0.667087 0.273175 ] [ 0.995043 0.836207 0.39746 ] [ 0.769951 0.750041 0.650459 ] [ 0.013008 0.672435 0.892906 ] [ 0.245127 0.090209 0.40178 ] [ 0.238039 0.748724 0.649318 ] [ 0.512228 0.012162 0.643443 ] [ 0.245127 0.909791 0.90178 ] [ 0.752427 0.085248 0.393219 ] [ 0.012228 0.487838 0.143443 ] [ 0.752427 0.914752 0.893219 ] [ 0.013008 0.327565 0.392906 ] [ 0.986537 0.005413 0.162894 ] [ 0.769951 0.249959 0.150459 ] [ 0.238039 0.251276 0.149318 ] [ 0.995043 0.163793 0.89746 ] [ 0.986537 0.994587 0.662894 ] [ 0.495043 0.336207 0.39746 ] [ 0.269951 0.250041 0.650459 ] [ 0.513008 0.172435 0.892906 ] [ 0.745127 0.590209 0.40178 ] [ 0.738039 0.248724 0.649318 ] [ 0.012228 0.512162 0.643443 ] [ 0.745127 0.409791 0.90178 ] [ 0.252427 0.585248 0.393219 ] [ 0.512228 0.987838 0.143443 ] [ 0.252427 0.414752 0.893219 ] [ 0.513008 0.827565 0.392906 ] [ 0.486537 0.505413 0.162894 ] [ 0.269951 0.749959 0.150459 ] [ 0.738039 0.751276 0.149318 ] [ 0.495043 0.663793 0.89746 ] [ 0.486537 0.494587 0.662894 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "O" "O" "O" "O" "O" "O" "O" "O" "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" 6.03532738 "source-unit" "angstrom" } "b" { "source-value" 10.39203503 "source-unit" "angstrom" } "c" { "source-value" 9.91845179 "source-unit" "angstrom" } "beta" { "source-value" 90.32685582 "source-unit" "degree" } }