{ "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" [ [ 0.995158 0.251983 0.999844 ] [ 0.995158 0.748017 0.999844 ] [ 0.502284 0.746651 0.501628 ] [ 0.502284 0.253349 0.501628 ] [ 0.544736 0.5 0.216154 ] [ 0.4545 0 0.781938 ] [ 0.049376 0 0.284403 ] [ 0.97948 0.5 0.721469 ] [ 0.917182 0 0.594555 ] [ 0.580634 0 0.094336 ] [ 0.416272 0.5 0.906069 ] [ 0.083883 0.5 0.405767 ] [ 0.805858 0 0.450455 ] [ 0.785988 0.201166 0.660857 ] [ 0.785988 0.798834 0.660857 ] [ 0.759527 0.5 0.398662 ] [ 0.7402 0.5 0.90233 ] [ 0.714105 0.198616 0.161319 ] [ 0.714105 0.801384 0.161319 ] [ 0.689498 0 0.951168 ] [ 0.299442 0.5 0.048428 ] [ 0.27836 0.6957 0.836098 ] [ 0.27836 0.3043 0.836098 ] [ 0.256027 0 0.10097 ] [ 0.241503 0 0.600427 ] [ 0.214909 0.697493 0.337157 ] [ 0.214909 0.302507 0.337157 ] [ 0.200271 0.5 0.549067 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Cr" "Cr" "Cr" "Co" "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" 4.7721384 "source-unit" "angstrom" } "b" { "source-value" 6.27577038 "source-unit" "angstrom" } "c" { "source-value" 10.23645207 "source-unit" "angstrom" } "beta" { "source-value" 90.41070337 "source-unit" "degree" } }