{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.73601 0.004419 0.260064 ] [ 0.73601 0.495581 0.260064 ] [ 0.26399 0.504419 0.739936 ] [ 0.26399 0.995581 0.739936 ] [ 0.160971 0.75 0.121449 ] [ 0.839029 0.25 0.878551 ] [ 0.220332 0.25 0.352965 ] [ 0.779668 0.75 0.647035 ] [ 0.30685 0.75 0.414434 ] [ 0.69315 0.25 0.585566 ] [ 0.267694 0.25 0.054213 ] [ 0.732306 0.75 0.945787 ] [ 0.784395 0.75 0.091302 ] [ 0.069491 0.25 0.141717 ] [ 0.498153 0.25 0.111637 ] [ 0.232745 0.933299 0.310554 ] [ 0.232745 0.566701 0.310554 ] [ 0.82529 0.25 0.434101 ] [ 0.607603 0.75 0.445271 ] [ 0.392397 0.25 0.554729 ] [ 0.17471 0.75 0.565899 ] [ 0.767255 0.433299 0.689446 ] [ 0.767255 0.066701 0.689446 ] [ 0.501847 0.75 0.888363 ] [ 0.930509 0.75 0.858283 ] [ 0.215605 0.25 0.908698 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Li" "Li" "Cu" "Cu" "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" 5.20636456 "source-unit" "angstrom" } "b" { "source-value" 6.67556005 "source-unit" "angstrom" } "c" { "source-value" 8.81355951 "source-unit" "angstrom" } "beta" { "source-value" 92.74321174 "source-unit" "degree" } }