{ "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" [ [ 0.767751 0.501623 0.212044 ] [ 0.232249 0.001623 0.787956 ] [ 0.226318 0.24587 0.349861 ] [ 0.773682 0.74587 0.650139 ] [ 0.273725 0.256435 0.071367 ] [ 0.726275 0.756435 0.928633 ] [ 0.278464 0.748652 0.425952 ] [ 0.721536 0.248652 0.574048 ] [ 0.702203 0.728684 0.066307 ] [ 0.050295 0.262123 0.132006 ] [ 0.473271 0.275997 0.168363 ] [ 0.208282 0.934078 0.326065 ] [ 0.17193 0.559938 0.337179 ] [ 0.835869 0.262432 0.426583 ] [ 0.566996 0.726319 0.448261 ] [ 0.433004 0.226319 0.551739 ] [ 0.164131 0.762432 0.573417 ] [ 0.82807 0.059938 0.662821 ] [ 0.791718 0.434078 0.673935 ] [ 0.526729 0.775997 0.831637 ] [ 0.949705 0.762123 0.867994 ] [ 0.297797 0.228684 0.933693 ] ] } "species" { "source-value" [ "Li" "Li" "Cu" "Cu" "C" "C" "S" "S" "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" 5.16277037 "source-unit" "angstrom" } "b" { "source-value" 6.20733467 "source-unit" "angstrom" } "c" { "source-value" 8.91677969 "source-unit" "angstrom" } "beta" { "source-value" 93.40759436 "source-unit" "degree" } }