{ "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" [ [ 0.819854 0.894205 0.936235 ] [ 0.180146 0.105795 0.063765 ] [ 0.680146 0.394205 0.563765 ] [ 0.319854 0.605795 0.436235 ] [ 0.577582 0.666324 0.16508 ] [ 0.458813 0.826413 0.443871 ] [ 0.143911 0.178314 0.692679 ] [ 0.948428 0.513444 0.283738 ] [ 0.856089 0.821686 0.307321 ] [ 0.72279 0.644239 0.575766 ] [ 0.356089 0.678314 0.807321 ] [ 0.077582 0.833676 0.66508 ] [ 0.27721 0.355761 0.424234 ] [ 0.643911 0.321686 0.192679 ] [ 0.22279 0.855761 0.075766 ] [ 0.551572 0.013444 0.216262 ] [ 0.448428 0.986556 0.783738 ] [ 0.300487 0.503773 0.061235 ] [ 0.77721 0.144239 0.924234 ] [ 0.041187 0.326413 0.056129 ] [ 0.541187 0.173587 0.556129 ] [ 0.699513 0.496227 0.938765 ] [ 0.922418 0.166324 0.33492 ] [ 0.958813 0.673587 0.943871 ] [ 0.199513 0.003773 0.438765 ] [ 0.800487 0.996227 0.561235 ] [ 0.422418 0.333676 0.83492 ] [ 0.051572 0.486556 0.716262 ] [ 0.678136 0.808054 0.722222 ] [ 0.071374 0.672574 0.528262 ] [ 0.928626 0.327426 0.471738 ] [ 0.065518 0.000139 0.854381 ] [ 0.571374 0.827426 0.028262 ] [ 0.178136 0.691946 0.222222 ] [ 0.428626 0.172574 0.971738 ] [ 0.565518 0.499861 0.354381 ] [ 0.821864 0.308054 0.777778 ] [ 0.434482 0.500139 0.645619 ] [ 0.934482 0.999861 0.145619 ] [ 0.321864 0.191946 0.277778 ] [ 0.851785 0.39417 0.800516 ] [ 0.467774 0.585318 0.618723 ] [ 0.532226 0.414682 0.381277 ] [ 0.051505 0.26921 0.495397 ] [ 0.948495 0.73079 0.504603 ] [ 0.284221 0.205665 0.921119 ] [ 0.039744 0.586961 0.50784 ] [ 0.790413 0.03503 0.093174 ] [ 0.990186 0.909886 0.463654 ] [ 0.458147 0.550963 0.276993 ] [ 0.693143 0.098172 0.395245 ] [ 0.822832 0.776771 0.775681 ] [ 0.960256 0.413039 0.49216 ] [ 0.539744 0.913039 0.00784 ] [ 0.677168 0.276771 0.724319 ] [ 0.941008 0.249838 0.822024 ] [ 0.058992 0.750162 0.177976 ] [ 0.715779 0.794335 0.078881 ] [ 0.209587 0.96497 0.906826 ] [ 0.490186 0.590114 0.963654 ] [ 0.842153 0.579801 0.776984 ] [ 0.322832 0.723229 0.275681 ] [ 0.784221 0.294335 0.421119 ] [ 0.009814 0.090114 0.536346 ] [ 0.958147 0.949037 0.776993 ] [ 0.551505 0.23079 0.995397 ] [ 0.541853 0.449037 0.723007 ] [ 0.648215 0.89417 0.699484 ] [ 0.342153 0.920199 0.276984 ] [ 0.967774 0.914682 0.118723 ] [ 0.441008 0.250162 0.322024 ] [ 0.157847 0.420199 0.223016 ] [ 0.306857 0.901828 0.604755 ] [ 0.838772 0.414991 0.124862 ] [ 0.161228 0.585009 0.875138 ] [ 0.151572 0.767847 0.878096 ] [ 0.148215 0.60583 0.199484 ] [ 0.806857 0.598172 0.104755 ] [ 0.041853 0.050963 0.223007 ] [ 0.215779 0.705665 0.578881 ] [ 0.558992 0.749838 0.677976 ] [ 0.848428 0.232153 0.121904 ] [ 0.651572 0.732153 0.378096 ] [ 0.348428 0.267847 0.621904 ] [ 0.661228 0.914991 0.375138 ] [ 0.193143 0.401828 0.895245 ] [ 0.351785 0.10583 0.300516 ] [ 0.290413 0.46497 0.593174 ] [ 0.509814 0.409886 0.036346 ] [ 0.709587 0.53503 0.406826 ] [ 0.657847 0.079801 0.723016 ] [ 0.448495 0.76921 0.004603 ] [ 0.032226 0.085318 0.881277 ] [ 0.460256 0.086961 0.99216 ] [ 0.338772 0.085009 0.624862 ] [ 0.177168 0.223229 0.224319 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Y" "Y" "Y" "Y" "Y" "Y" "Y" "Y" "Y" "Y" "Y" "Y" "Y" "Y" "Y" "Y" "Y" "Y" "Y" "Y" "Y" "Y" "Y" "Y" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "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" "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" 8.43057164646 "source-unit" "angstrom" } "b" { "source-value" 15.63134411 "source-unit" "angstrom" } "c" { "source-value" 8.90843073451 "source-unit" "angstrom" } "beta" { "source-value" 91.8527857141 "source-unit" "degree" } }