{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pm" } "basis-atom-coordinates" { "source-value" [ [ 0.766024 0.5 0.902289 ] [ 0.252746 0.271182 0.725128 ] [ 0.252746 0.728818 0.725128 ] [ 0.750262 0.770805 0.274049 ] [ 0.750262 0.229195 0.274049 ] [ 0.23441 0 0.102149 ] [ 0.788195 0 0.664554 ] [ 0.206997 0.5 0.332451 ] [ 0.719599 0.5 0.583658 ] [ 0.278906 0 0.410085 ] [ 0.704829 0 0.967731 ] [ 0.297632 0.5 0.038542 ] [ 0.953426 0 0.937848 ] [ 0.361266 0.5 0.893121 ] [ 0.519537 0 0.849746 ] [ 0.824693 0.313971 0.688686 ] [ 0.824693 0.686029 0.688686 ] [ 0.183227 0 0.57915 ] [ 0.406308 0.5 0.563295 ] [ 0.590759 0 0.421038 ] [ 0.82581 0.5 0.418831 ] [ 0.169106 0.188602 0.310748 ] [ 0.169106 0.811398 0.310748 ] [ 0.485239 0.5 0.154238 ] [ 0.634001 0 0.110644 ] [ 0.050222 0.5 0.073408 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Cr" "Ni" "P" "P" "C" "C" "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" 4.9961073 "source-unit" "angstrom" } "b" { "source-value" 6.44399233 "source-unit" "angstrom" } "c" { "source-value" 8.51508704 "source-unit" "angstrom" } "beta" { "source-value" 94.60369443 "source-unit" "degree" } }