{ "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" [ [ 0.000903 0.510807 0.992585 ] [ 0.543017 0.817806 0.833852 ] [ 0.489218 0.50852 0.513504 ] [ 0.510782 0.00852 0.486496 ] [ 0.456983 0.317806 0.166148 ] [ 0.999097 0.010807 0.007415 ] [ 0.983625 0.246267 0.706517 ] [ 0.016375 0.746267 0.293483 ] [ 0.023151 0.758458 0.65249 ] [ 0.976849 0.258458 0.34751 ] [ 0.513991 0.26139 0.847335 ] [ 0.486009 0.76139 0.152665 ] [ 0.681376 0.257384 0.954003 ] [ 0.274527 0.251576 0.880946 ] [ 0.924525 0.941928 0.747968 ] [ 0.959685 0.565994 0.744037 ] [ 0.583294 0.270359 0.71082 ] [ 0.307432 0.779018 0.628951 ] [ 0.875835 0.755893 0.501414 ] [ 0.124165 0.255893 0.498586 ] [ 0.692568 0.279018 0.371049 ] [ 0.416706 0.770359 0.28918 ] [ 0.040315 0.065994 0.255963 ] [ 0.075475 0.441928 0.252032 ] [ 0.725473 0.751576 0.119054 ] [ 0.318624 0.757384 0.045997 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Co" "Co" "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" 5.31415758 "source-unit" "angstrom" } "b" { "source-value" 6.61034078 "source-unit" "angstrom" } "c" { "source-value" 9.00190855 "source-unit" "angstrom" } "beta" { "source-value" 90.58114291 "source-unit" "degree" } }