{ "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" [ [ 0.763497 0.919442 0.865758 ] [ 0.263497 0.580558 0.865758 ] [ 0.236503 0.080558 0.134242 ] [ 0.736503 0.419442 0.134242 ] [ 0.345964 0.602092 0.267729 ] [ 0.154036 0.102092 0.732271 ] [ 0.654036 0.397908 0.732271 ] [ 0.845964 0.897908 0.267729 ] [ 0.413613 0.720822 0.097661 ] [ 0.913613 0.779178 0.097661 ] [ 0.586387 0.279178 0.902339 ] [ 0.086387 0.220822 0.902339 ] [ 0.555499 0.894396 0.902151 ] [ 0.944501 0.394396 0.097849 ] [ 0.444501 0.105604 0.097849 ] [ 0.055499 0.605604 0.902151 ] [ 0.750976 0.811038 0.725326 ] [ 0.749024 0.311038 0.274674 ] [ 0.249024 0.188962 0.274674 ] [ 0.250976 0.688962 0.725326 ] [ 0.712417 0.048508 0.753463 ] [ 0.787583 0.548508 0.246537 ] [ 0.287583 0.951492 0.246537 ] [ 0.212417 0.451492 0.753463 ] [ 0.864955 0.048693 0.110752 ] [ 0.635045 0.548693 0.889248 ] [ 0.135045 0.951307 0.889248 ] [ 0.364955 0.451307 0.110752 ] [ 0.834453 0.749999 0.412208 ] [ 0.665547 0.249999 0.587792 ] [ 0.165547 0.250001 0.587792 ] [ 0.334453 0.750001 0.412208 ] [ 0.772169 0.021518 0.415784 ] [ 0.727831 0.521518 0.584216 ] [ 0.227831 0.978482 0.584216 ] [ 0.272169 0.478482 0.415784 ] ] } "species" { "source-value" [ "S" "S" "S" "S" "I" "I" "I" "I" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "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" 8.87678993468 "source-unit" "angstrom" } "b" { "source-value" 13.04998808 "source-unit" "angstrom" } "c" { "source-value" 10.5888347611 "source-unit" "angstrom" } "beta" { "source-value" 108.026271791 "source-unit" "degree" } }