{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/c" } "basis-atom-coordinates" { "source-value" [ [ 0 0.166867 0.25 ] [ 0 0.833133 0.75 ] [ 0.5 0.666867 0.25 ] [ 0.5 0.333133 0.75 ] [ 0 0.5 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0 ] [ 0.5 0 0.5 ] [ 0.181391 0.905583 0.41707 ] [ 0.85255 0.137776 0.063015 ] [ 0.099195 0.199728 0.828929 ] [ 0.159239 0.799453 0.667156 ] [ 0.900805 0.199728 0.671071 ] [ 0.082164 0.016233 0.150701 ] [ 0.869607 0.654021 0.741623 ] [ 0.917836 0.983767 0.849299 ] [ 0.869607 0.345979 0.241623 ] [ 0.130393 0.654021 0.758377 ] [ 0.099195 0.800272 0.328929 ] [ 0.900805 0.800272 0.171071 ] [ 0.082164 0.983767 0.650701 ] [ 0.818609 0.094417 0.58293 ] [ 0.14745 0.862224 0.936985 ] [ 0.840761 0.200547 0.332844 ] [ 0.85255 0.862224 0.563015 ] [ 0.840761 0.799453 0.832844 ] [ 0.873641 0.808109 0.286464 ] [ 0.917836 0.016233 0.349299 ] [ 0.873641 0.191891 0.786464 ] [ 0.126359 0.191891 0.713536 ] [ 0.14745 0.137776 0.436985 ] [ 0.198953 0.299945 0.372427 ] [ 0.198953 0.700055 0.872427 ] [ 0.818609 0.905583 0.08293 ] [ 0.130393 0.345979 0.258377 ] [ 0.801047 0.299945 0.127573 ] [ 0.801047 0.700055 0.627573 ] [ 0.126359 0.808109 0.213536 ] [ 0.159239 0.200547 0.167156 ] [ 0.181391 0.094417 0.91707 ] [ 0.681391 0.405583 0.41707 ] [ 0.35255 0.637776 0.063015 ] [ 0.599195 0.699728 0.828929 ] [ 0.659239 0.299453 0.667156 ] [ 0.400805 0.699728 0.671071 ] [ 0.582164 0.516233 0.150701 ] [ 0.369607 0.154021 0.741623 ] [ 0.417836 0.483767 0.849299 ] [ 0.369607 0.845979 0.241623 ] [ 0.630393 0.154021 0.758377 ] [ 0.599195 0.300272 0.328929 ] [ 0.400805 0.300272 0.171071 ] [ 0.582164 0.483767 0.650701 ] [ 0.318609 0.594417 0.58293 ] [ 0.64745 0.362224 0.936985 ] [ 0.340761 0.700547 0.332844 ] [ 0.35255 0.362224 0.563015 ] [ 0.340761 0.299453 0.832844 ] [ 0.373641 0.308109 0.286464 ] [ 0.417836 0.516233 0.349299 ] [ 0.373641 0.691891 0.786464 ] [ 0.626359 0.691891 0.713536 ] [ 0.64745 0.637776 0.436985 ] [ 0.698953 0.799945 0.372427 ] [ 0.698953 0.200055 0.872427 ] [ 0.318609 0.405583 0.08293 ] [ 0.630393 0.845979 0.258377 ] [ 0.301047 0.799945 0.127573 ] [ 0.301047 0.200055 0.627573 ] [ 0.626359 0.308109 0.213536 ] [ 0.659239 0.700547 0.167156 ] [ 0.681391 0.594417 0.91707 ] [ 0.981963 0.276035 0.521702 ] [ 0.10433 0.463721 0.53502 ] [ 0.018037 0.723965 0.478298 ] [ 0.006755 0.556188 0.887153 ] [ 0.89567 0.463721 0.96498 ] [ 0.006755 0.443812 0.387153 ] [ 0.993245 0.443812 0.112847 ] [ 0.10433 0.536279 0.03502 ] [ 0.981963 0.723965 0.021702 ] [ 0.993245 0.556188 0.612847 ] [ 0.018037 0.276035 0.978298 ] [ 0.89567 0.536279 0.46498 ] [ 0.481963 0.776035 0.521702 ] [ 0.60433 0.963721 0.53502 ] [ 0.518037 0.223965 0.478298 ] [ 0.506755 0.056188 0.887153 ] [ 0.39567 0.963721 0.96498 ] [ 0.506755 0.943812 0.387153 ] [ 0.493245 0.943812 0.112847 ] [ 0.60433 0.036279 0.03502 ] [ 0.481963 0.223965 0.021702 ] [ 0.493245 0.056188 0.612847 ] [ 0.518037 0.776035 0.978298 ] [ 0.39567 0.036279 0.46498 ] ] } "species" { "source-value" [ "Ag" "Ag" "Ag" "Ag" "Sb" "Sb" "Sb" "Sb" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 18.4630398419 "source-unit" "angstrom" } "b" { "source-value" 8.25422562 "source-unit" "angstrom" } "c" { "source-value" 16.3779426112 "source-unit" "angstrom" } "beta" { "source-value" 101.482838387 "source-unit" "degree" } }