{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.505471 0.007035 0.650692 ] [ 0.994529 0.507035 0.849308 ] [ 0.494529 0.992965 0.349308 ] [ 0.005471 0.492965 0.150692 ] [ 0.394613 0.110946 0.998623 ] [ 0.605387 0.889054 0.001377 ] [ 0.894613 0.389054 0.498623 ] [ 0.105387 0.610946 0.501377 ] [ 0.210933 0.672729 0.38445 ] [ 0.710933 0.827271 0.88445 ] [ 0.289067 0.172729 0.11555 ] [ 0.789067 0.327271 0.61555 ] [ 0.846605 0.289643 0.380198 ] [ 0.653395 0.789643 0.119802 ] [ 0.153395 0.710357 0.619802 ] [ 0.346605 0.210357 0.880198 ] ] } "species" { "source-value" [ "Ag" "Ag" "Ag" "Ag" "C" "C" "C" "C" "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" 4.01012640339 "source-unit" "angstrom" } "b" { "source-value" 5.94590607 "source-unit" "angstrom" } "c" { "source-value" 9.4544780976 "source-unit" "angstrom" } "beta" { "source-value" 94.4901879752 "source-unit" "degree" } }