{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-1" } "basis-atom-coordinates" { "source-value" [ [ 0.333939 0.1367 0.212247 ] [ 0.666061 0.8633 0.787753 ] [ 0.84446 0.643503 0.209411 ] [ 0.15554 0.356497 0.790589 ] [ 0.657536 0.35853 0.791969 ] [ 0.342464 0.64147 0.208031 ] [ 0.79749 0.133978 0.313052 ] [ 0.20251 0.866022 0.686948 ] [ 0.636362 0.206108 0.170175 ] [ 0.449706 0.196883 0.861854 ] [ 0.941899 0.920564 0.830516 ] [ 0.778607 0.920703 0.45525 ] [ 0.278053 0.674262 0.570057 ] [ 0.152875 0.477055 0.243485 ] [ 0.221393 0.079297 0.54475 ] [ 0.550294 0.803117 0.138146 ] [ 0.363638 0.793892 0.829825 ] [ 0.847125 0.522945 0.756515 ] [ 0.721947 0.325738 0.429943 ] [ 0.058101 0.079436 0.169484 ] ] } "species" { "source-value" [ "Cd" "Cd" "Hg" "Hg" "Hg" "Hg" "Se" "Se" "O" "O" "O" "O" "O" "O" "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" 7.02288481196 "source-unit" "angstrom" } "b" { "source-value" 7.35483543951 "source-unit" "angstrom" } "c" { "source-value" 7.69477863686 "source-unit" "angstrom" } "alpha" { "source-value" 74.4297079693 "source-unit" "degree" } "beta" { "source-value" 68.5498358295 "source-unit" "degree" } "gamma" { "source-value" 64.2939786421 "source-unit" "degree" } }