{ "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 0.5 0.5 ] [ 0.5 0 0 ] [ 0.023862 0.078017 0.73996 ] [ 0.476138 0.578017 0.76004 ] [ 0.976138 0.921983 0.26004 ] [ 0.523862 0.421983 0.23996 ] [ 0 0.5 0 ] [ 0.5 0 0.5 ] [ 0.861476 0.43526 0.761281 ] [ 0.638524 0.93526 0.738719 ] [ 0.138524 0.56474 0.238719 ] [ 0.361476 0.06474 0.261281 ] [ 0.832214 0.195184 0.078201 ] [ 0.667786 0.695184 0.421799 ] [ 0.167786 0.804816 0.921799 ] [ 0.332214 0.304816 0.578201 ] [ 0.686193 0.678424 0.064256 ] [ 0.813807 0.178424 0.435744 ] [ 0.313807 0.321576 0.935744 ] [ 0.186193 0.821576 0.564256 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "Na" "Ho" "Ho" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.9164501656 "source-unit" "angstrom" } "b" { "source-value" 7.31982015 "source-unit" "angstrom" } "c" { "source-value" 10.2142441206 "source-unit" "angstrom" } "beta" { "source-value" 90.7985180831 "source-unit" "degree" } }