{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/c" } "basis-atom-coordinates" { "source-value" [ [ 0.232011 0.497598 0.090112 ] [ 0.267989 0.997598 0.409888 ] [ 0.732011 0.002402 0.590112 ] [ 0.767989 0.502402 0.909888 ] [ 0.732011 0.997598 0.090112 ] [ 0.767989 0.497598 0.409888 ] [ 0.232011 0.502402 0.590112 ] [ 0.267989 0.002402 0.909888 ] [ 0.989146 0.856072 0.133537 ] [ 0.989146 0.143928 0.633537 ] [ 0.22952 0.996124 0.157367 ] [ 0.27048 0.496124 0.342633 ] [ 0.72952 0.503876 0.657367 ] [ 0.77048 0.003876 0.842633 ] [ 0.010854 0.856072 0.366463 ] [ 0.010854 0.143928 0.866463 ] [ 0.489146 0.356072 0.133537 ] [ 0.489146 0.643928 0.633537 ] [ 0.72952 0.496124 0.157367 ] [ 0.77048 0.996124 0.342633 ] [ 0.22952 0.003876 0.657367 ] [ 0.27048 0.503876 0.842633 ] [ 0.510854 0.356072 0.366463 ] [ 0.510854 0.643928 0.866463 ] [ 0.983436 0.692577 0.050986 ] [ 0.886501 0.989284 0.099828 ] [ 0.983436 0.307423 0.550986 ] [ 0.406324 0.50896 0.350867 ] [ 0.249044 0.799668 0.100739 ] [ 0.254812 0.188565 0.100942 ] [ 0.297818 0.994247 0.276006 ] [ 0.886501 0.010716 0.599828 ] [ 0.906324 0.99104 0.850867 ] [ 0.202182 0.494247 0.223994 ] [ 0.245188 0.688565 0.399058 ] [ 0.250956 0.299668 0.399261 ] [ 0.749044 0.700332 0.600739 ] [ 0.754812 0.311435 0.600942 ] [ 0.797818 0.505753 0.776006 ] [ 0.093676 0.00896 0.149133 ] [ 0.113499 0.989284 0.400172 ] [ 0.702182 0.005753 0.723994 ] [ 0.745188 0.811435 0.899058 ] [ 0.750956 0.200332 0.899261 ] [ 0 0.741657 0.25 ] [ 0.593676 0.49104 0.649133 ] [ 0.016564 0.692577 0.449014 ] [ 0.113499 0.010716 0.900172 ] [ 0 0.258343 0.75 ] [ 0.016564 0.307423 0.949014 ] [ 0.483436 0.192577 0.050986 ] [ 0.386501 0.489284 0.099828 ] [ 0.483436 0.807423 0.550986 ] [ 0.906324 0.00896 0.350867 ] [ 0.749044 0.299668 0.100739 ] [ 0.754812 0.688565 0.100942 ] [ 0.797818 0.494247 0.276006 ] [ 0.386501 0.510716 0.599828 ] [ 0.406324 0.49104 0.850867 ] [ 0.702182 0.994247 0.223994 ] [ 0.745188 0.188565 0.399058 ] [ 0.750956 0.799668 0.399261 ] [ 0.249044 0.200332 0.600739 ] [ 0.254812 0.811435 0.600942 ] [ 0.297818 0.005753 0.776006 ] [ 0.593676 0.50896 0.149133 ] [ 0.613499 0.489284 0.400172 ] [ 0.202182 0.505753 0.723994 ] [ 0.245188 0.311435 0.899058 ] [ 0.250956 0.700332 0.899261 ] [ 0.5 0.241657 0.25 ] [ 0.093676 0.99104 0.649133 ] [ 0.516564 0.192577 0.449014 ] [ 0.613499 0.510716 0.900172 ] [ 0.5 0.758343 0.75 ] [ 0.516564 0.807423 0.949014 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "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" "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" 13.67560007 "source-unit" "angstrom" } "b" { "source-value" 6.83939371 "source-unit" "angstrom" } "c" { "source-value" 14.05801024 "source-unit" "angstrom" } "beta" { "source-value" 108.82969843 "source-unit" "degree" } }