{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.796204 0.157156 0.932041 ] [ 0.796204 0.842844 0.932041 ] [ 0.203796 0.157156 0.067959 ] [ 0.203796 0.842844 0.067959 ] [ 0.296204 0.657156 0.932041 ] [ 0.296204 0.342844 0.932041 ] [ 0.703796 0.657156 0.067959 ] [ 0.703796 0.342844 0.067959 ] [ 0.27001 0 0.83948 ] [ 0.72999 0 0.16052 ] [ 0.77001 0.5 0.83948 ] [ 0.22999 0.5 0.16052 ] [ 0.36855 0 0.13651 ] [ 0.63145 0 0.86349 ] [ 0.178444 0.149384 0.919156 ] [ 0.821556 0.149384 0.080844 ] [ 0.178444 0.850616 0.919156 ] [ 0.821556 0.850616 0.080844 ] [ 0.86855 0.5 0.13651 ] [ 0.13145 0.5 0.86349 ] [ 0.678444 0.649384 0.919156 ] [ 0.321556 0.649384 0.080844 ] [ 0.678444 0.350616 0.919156 ] [ 0.321556 0.350616 0.080844 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Te" "Te" "Te" "Te" "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" 5.18515304646 "source-unit" "angstrom" } "b" { "source-value" 9.64771716 "source-unit" "angstrom" } "c" { "source-value" 13.6818676039 "source-unit" "angstrom" } "beta" { "source-value" 94.5251941203 "source-unit" "degree" } }