{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.700278 0.307682 0.783093 ] [ 0.350885 0.755009 0.752871 ] [ 0.649115 0.255009 0.247129 ] [ 0.299722 0.807682 0.216907 ] [ 0.871061 0.997804 0.939977 ] [ 0.087235 0.160652 0.540483 ] [ 0.912765 0.660652 0.459517 ] [ 0.128939 0.497804 0.060023 ] [ 0.22905 0.196696 0.955154 ] [ 0.767803 0.900543 0.554313 ] [ 0.232197 0.400543 0.445687 ] [ 0.77095 0.696696 0.044846 ] [ 0.090586 0.337961 0.905725 ] [ 0.544085 0.207364 0.981979 ] [ 0.883656 0.619083 0.88795 ] [ 0.10695 0.100645 0.788973 ] [ 0.638425 0.914073 0.733168 ] [ 0.405689 0.291581 0.570103 ] [ 0.056902 0.830625 0.592407 ] [ 0.21759 0.5392 0.544905 ] [ 0.78241 0.0392 0.455095 ] [ 0.943098 0.330625 0.407593 ] [ 0.594311 0.791581 0.429897 ] [ 0.361575 0.414073 0.266832 ] [ 0.89305 0.600645 0.211027 ] [ 0.116344 0.119083 0.11205 ] [ 0.455915 0.707364 0.018021 ] [ 0.909414 0.837961 0.094275 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Cu" "Cu" "Cu" "Cu" "P" "P" "P" "P" "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" 4.89441887 "source-unit" "angstrom" } "b" { "source-value" 9.76270714 "source-unit" "angstrom" } "c" { "source-value" 7.43297861 "source-unit" "angstrom" } "beta" { "source-value" 98.40596182 "source-unit" "degree" } }