{ "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" [ [ 0.813207 0.830378 0.100118 ] [ 0.519791 0.650998 0.345227 ] [ 0.480209 0.150998 0.654773 ] [ 0.186793 0.330378 0.899882 ] [ 0.484125 0.007328 0.281963 ] [ 0.515875 0.507328 0.718037 ] [ 0.878023 0.205281 0.087673 ] [ 0.875487 0.320643 0.481579 ] [ 0.124513 0.820643 0.518421 ] [ 0.121977 0.705281 0.912327 ] [ 0.1938 0.18094 0.120251 ] [ 0.258135 0.789163 0.108665 ] [ 0.719088 0.05453 0.098667 ] [ 0.853667 0.328879 0.251691 ] [ 0.807881 0.82179 0.386483 ] [ 0.736859 0.170238 0.511209 ] [ 0.717405 0.467875 0.507518 ] [ 0.282595 0.967875 0.492482 ] [ 0.263141 0.670238 0.488791 ] [ 0.192119 0.32179 0.613517 ] [ 0.146333 0.828879 0.748309 ] [ 0.280912 0.55453 0.901333 ] [ 0.741865 0.289163 0.891335 ] [ 0.8062 0.68094 0.879749 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Cr" "Cr" "P" "P" "P" "P" "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" 5.01498782 "source-unit" "angstrom" } "b" { "source-value" 8.58519601 "source-unit" "angstrom" } "c" { "source-value" 7.23979683 "source-unit" "angstrom" } "beta" { "source-value" 110.18273115 "source-unit" "degree" } }