{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P1" } "basis-atom-coordinates" { "source-value" [ [ 0.495247 0.000542 0.496517 ] [ 0.998001 0.497601 0.997862 ] [ 0.996761 0.505189 0.497296 ] [ 0.998157 0.001496 0.996914 ] [ 0.671986 0.248916 0.746712 ] [ 0.342128 0.75048 0.246852 ] [ 0.575321 0.593831 0.756591 ] [ 0.068752 0.096048 0.256058 ] [ 0.426852 0.406306 0.238977 ] [ 0.926655 0.906669 0.741238 ] [ 0.451695 0.591088 0.632804 ] [ 0.314524 0.094747 0.129466 ] [ 0.540718 0.403464 0.369413 ] [ 0.680642 0.903703 0.866672 ] [ 0.428853 0.7588 0.926247 ] [ 0.89051 0.259889 0.423143 ] [ 0.569734 0.240557 0.075786 ] [ 0.104017 0.747018 0.574818 ] [ 0.181103 0.246599 0.752284 ] [ 0.81784 0.751419 0.245421 ] [ 0.599113 0.535769 0.676682 ] [ 0.184114 0.035581 0.178672 ] [ 0.404109 0.466372 0.317086 ] [ 0.811531 0.962693 0.821995 ] ] } "species" { "source-value" [ "Cs" "Cs" "Na" "Na" "Na" "Na" "H" "H" "H" "H" "H" "H" "H" "H" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "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" 5.89195833 "source-unit" "angstrom" } "b" { "source-value" 9.09066472 "source-unit" "angstrom" } "c" { "source-value" 9.31617072 "source-unit" "angstrom" } "alpha" { "source-value" 71.9703529 "source-unit" "degree" } "beta" { "source-value" 71.68240461 "source-unit" "degree" } "gamma" { "source-value" 71.16446137 "source-unit" "degree" } }