{ "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" [ [ 0.815491 0.329194 0.207865 ] [ 0.005426 0.618935 0.188147 ] [ 0.156302 0.420433 0.032369 ] [ 0.01733 0.61264 0.559322 ] [ 0.173838 0.913974 0.557287 ] [ 0.992781 0.898118 0.931548 ] [ 0.336092 0.142744 0.492906 ] [ 0.725961 0.622582 0.3622 ] [ 0.696983 0.138055 0.865337 ] [ 0.293001 0.625712 0.391764 ] [ 0.696811 0.870381 0.138822 ] [ 0.303189 0.129619 0.861178 ] [ 0.007219 0.101882 0.068452 ] [ 0.842038 0.851777 0.682703 ] [ 0.994574 0.381065 0.811853 ] [ 0.303017 0.861945 0.134663 ] [ 0.157962 0.148223 0.317297 ] [ 0.843698 0.579567 0.967631 ] [ 0.98267 0.38736 0.440678 ] [ 0.029105 0.848494 0.312595 ] [ 0.826162 0.086026 0.442713 ] [ 0.706999 0.374288 0.608236 ] [ 0.184509 0.670806 0.792135 ] [ 0.362633 0.647086 0.973538 ] [ 0.33166 0.397848 0.245943 ] [ 0.640033 0.111385 0.270735 ] [ 0.359967 0.888615 0.729265 ] [ 0.66834 0.602152 0.754057 ] [ 0.274039 0.377418 0.6378 ] [ 0.663908 0.857256 0.507094 ] [ 0.637367 0.352914 0.026462 ] [ 0.970895 0.151506 0.687405 ] [ 0.493616 0.635199 0.588187 ] [ 0.455445 0.172446 0.092448 ] [ 0.506384 0.364801 0.411813 ] [ 0.544555 0.827554 0.907552 ] [ 0.523063 0.102838 0.652832 ] [ 0.486961 0.375737 0.830527 ] [ 0.513039 0.624263 0.169473 ] [ 0.476937 0.897162 0.347168 ] [ 0.889889 0.027153 0.841708 ] [ 0.237711 0.013422 0.809325 ] [ 0.158507 0.145941 0.976787 ] [ 0.744585 0.731547 0.662928 ] [ 0.758 0.232942 0.940995 ] [ 0.772057 0.205196 0.728744 ] [ 0.178757 0.45004 0.170262 ] [ 0.904999 0.274085 0.568953 ] [ 0.018225 0.735151 0.642916 ] [ 0.206913 0.830992 0.701087 ] [ 0.841493 0.854059 0.023213 ] [ 0.973252 0.526298 0.090409 ] [ 0.009073 0.993992 0.379719 ] [ 0.697847 0.25887 0.150745 ] [ 0.201602 0.282431 0.786919 ] [ 0.302153 0.74113 0.849255 ] [ 0.788716 0.425903 0.030884 ] [ 0.215368 0.538626 0.531336 ] [ 0.222554 0.53066 0.323625 ] [ 0.793087 0.169008 0.298913 ] [ 0.981775 0.264849 0.357084 ] [ 0.798398 0.717569 0.213081 ] [ 0.785466 0.729874 0.428401 ] [ 0.762289 0.986578 0.190675 ] [ 0.009475 0.761776 0.85738 ] [ 0.180119 0.09472 0.458173 ] [ 0.784632 0.461374 0.468664 ] [ 0.110111 0.972847 0.158292 ] [ 0.242 0.767058 0.059005 ] [ 0.026748 0.473702 0.909591 ] [ 0.777446 0.46934 0.676375 ] [ 0.214534 0.270126 0.571599 ] [ 0.709245 0.99994 0.400784 ] [ 0.922333 0.530734 0.312713 ] [ 0.255415 0.268453 0.337072 ] [ 0.211284 0.574097 0.969116 ] [ 0.821243 0.54996 0.829738 ] [ 0.227943 0.794804 0.271256 ] [ 0.819881 0.90528 0.541827 ] [ 0.095001 0.725915 0.431047 ] [ 0.990927 0.006008 0.620281 ] [ 0.290755 0.00006 0.599216 ] [ 0.077667 0.469266 0.687287 ] [ 0.990525 0.238224 0.14262 ] ] } "species" { "source-value" [ "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 10.795889317 "source-unit" "angstrom" } "b" { "source-value" 11.5866302044 "source-unit" "angstrom" } "c" { "source-value" 14.2749785878 "source-unit" "angstrom" } "alpha" { "source-value" 78.7182437426 "source-unit" "degree" } "beta" { "source-value" 76.704577859 "source-unit" "degree" } "gamma" { "source-value" 72.8511752333 "source-unit" "degree" } }