{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.9278 0.67837 ] [ 0.75 0.0722 0.32163 ] [ 0.25 0.4278 0.82163 ] [ 0.75 0.5722 0.17837 ] [ 0.75 0.328551 0.554527 ] [ 0.25 0.671449 0.445473 ] [ 0.75 0.828551 0.945473 ] [ 0.25 0.171449 0.054527 ] [ 0.75 0.480838 0.399052 ] [ 0.25 0.519162 0.600948 ] [ 0.75 0.980838 0.100948 ] [ 0.25 0.019162 0.899052 ] [ 0.25 0.166421 0.489859 ] [ 0.75 0.833579 0.510141 ] [ 0.25 0.666421 0.010141 ] [ 0.75 0.333579 0.989859 ] [ 0.25 0.291173 0.209254 ] [ 0.75 0.708827 0.790746 ] [ 0.25 0.791173 0.290746 ] [ 0.75 0.208827 0.709254 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "Cd" "Cd" "Cd" "Cd" "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" 4.06972578 "source-unit" "angstrom" } "b" { "source-value" 9.01363539 "source-unit" "angstrom" } "c" { "source-value" 14.90677931 "source-unit" "angstrom" } }