{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.928098 0.75 0.082242 ] [ 0.071902 0.25 0.917758 ] [ 0.609511 0.75 0.33169 ] [ 0.390489 0.25 0.66831 ] [ 0.353315 0.515458 0.143145 ] [ 0.646685 0.015458 0.856855 ] [ 0.646685 0.484542 0.856855 ] [ 0.353315 0.984542 0.143145 ] [ 0.178563 0.75 0.381003 ] [ 0.821437 0.25 0.618997 ] [ 0.191725 0.535844 0.771634 ] [ 0.808275 0.035844 0.228366 ] [ 0.808275 0.464156 0.228366 ] [ 0.191725 0.964156 0.771634 ] [ 0.821847 0.75 0.682443 ] [ 0.178153 0.25 0.317557 ] [ 0.251658 0.75 0.245949 ] [ 0.748342 0.25 0.754051 ] [ 0.710632 0.55486 0.152962 ] [ 0.289368 0.05486 0.847038 ] [ 0.289368 0.44514 0.847038 ] [ 0.710632 0.94514 0.152962 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "H" "H" "H" "H" "H" "H" "Cl" "Cl" "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" 5.51162428954 "source-unit" "angstrom" } "b" { "source-value" 7.5524903 "source-unit" "angstrom" } "c" { "source-value" 6.338445804 "source-unit" "angstrom" } "beta" { "source-value" 94.3825781096 "source-unit" "degree" } }