{ "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" [ [ 0.335005 0.623236 0.4072 ] [ 0.164995 0.123236 0.0928 ] [ 0.164995 0.876764 0.5928 ] [ 0.335005 0.376764 0.9072 ] [ 0.835005 0.123236 0.4072 ] [ 0.664995 0.623236 0.0928 ] [ 0.664995 0.376764 0.5928 ] [ 0.835005 0.876764 0.9072 ] [ 0.5 0.368241 0.25 ] [ 0 0.131759 0.75 ] [ 0.146651 0.606504 0.050083 ] [ 0.353349 0.106504 0.449917 ] [ 0.353349 0.893496 0.949917 ] [ 0.146651 0.393496 0.550083 ] [ 0 0.868241 0.25 ] [ 0.5 0.631759 0.75 ] [ 0.646651 0.106504 0.050083 ] [ 0.853349 0.606504 0.449917 ] [ 0.853349 0.393496 0.949917 ] [ 0.646651 0.893496 0.550083 ] [ 0.43215 0.961442 0.573693 ] [ 0.06785 0.461442 0.926307 ] [ 0.06785 0.538558 0.426307 ] [ 0.43215 0.038558 0.073693 ] [ 0.551408 0.21845 0.938757 ] [ 0.448592 0.21845 0.561243 ] [ 0.948592 0.28155 0.061243 ] [ 0.051408 0.28155 0.438757 ] [ 0.220821 0.320773 0.701893 ] [ 0.279179 0.820773 0.798107 ] [ 0.631055 0.291599 0.394843 ] [ 0.368945 0.291599 0.105157 ] [ 0.868945 0.208401 0.605157 ] [ 0.131055 0.208401 0.894843 ] [ 0.331032 0.460272 0.279623 ] [ 0.168968 0.960272 0.220377 ] [ 0.168968 0.039728 0.720377 ] [ 0.279179 0.179227 0.298107 ] [ 0.13041 0.050644 0.459985 ] [ 0.36959 0.550644 0.040015 ] [ 0.36959 0.449356 0.540015 ] [ 0.13041 0.949356 0.959985 ] [ 0.220821 0.679227 0.201893 ] [ 0.331032 0.539728 0.779623 ] [ 0.93215 0.461442 0.573693 ] [ 0.56785 0.961442 0.926307 ] [ 0.56785 0.038558 0.426307 ] [ 0.93215 0.538558 0.073693 ] [ 0.051408 0.71845 0.938757 ] [ 0.948592 0.71845 0.561243 ] [ 0.448592 0.78155 0.061243 ] [ 0.551408 0.78155 0.438757 ] [ 0.720821 0.820773 0.701893 ] [ 0.779179 0.320773 0.798107 ] [ 0.131055 0.791599 0.394843 ] [ 0.868945 0.791599 0.105157 ] [ 0.368945 0.708401 0.605157 ] [ 0.631055 0.708401 0.894843 ] [ 0.831032 0.960272 0.279623 ] [ 0.668968 0.460272 0.220377 ] [ 0.668968 0.539728 0.720377 ] [ 0.779179 0.679227 0.298107 ] [ 0.63041 0.550644 0.459985 ] [ 0.86959 0.050644 0.040015 ] [ 0.86959 0.949356 0.540015 ] [ 0.63041 0.449356 0.959985 ] [ 0.720821 0.179227 0.201893 ] [ 0.831032 0.039728 0.779623 ] ] } "species" { "source-value" [ "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "Dy" "W" "W" "W" "W" "W" "W" "W" "W" "W" "W" "W" "W" "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" "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" 7.75975432239 "source-unit" "angstrom" } "b" { "source-value" 11.4773837454 "source-unit" "angstrom" } "c" { "source-value" 11.4089660855 "source-unit" "angstrom" } "beta" { "source-value" 109.480541663 "source-unit" "degree" } }