{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-rhombohedral-crystal-npt" "instance-id" 1 "space-group" { "source-value" "R3" } "basis-atom-coordinates" { "source-value" [ [ 0.810741 0.022738 0.913675 ] [ 0.522798 0.651176 0.083209 ] [ 0.128378 0.477202 0.083209 ] [ 0.211996 0.189259 0.913675 ] [ 0.348824 0.871622 0.083209 ] [ 0.977262 0.788004 0.913675 ] [ 0.477408 0.356071 0.247009 ] [ 0.189464 0.984509 0.416542 ] [ 0.795045 0.810536 0.416542 ] [ 0.878663 0.522592 0.247009 ] [ 0.015491 0.204955 0.416542 ] [ 0.643929 0.121337 0.247009 ] [ 0.144075 0.689404 0.580342 ] [ 0.856131 0.317842 0.749876 ] [ 0.461711 0.143869 0.749876 ] [ 0.54533 0.855925 0.580342 ] [ 0.682158 0.538289 0.749876 ] [ 0.310596 0.45467 0.580342 ] [ 0.984289 0.789027 0.249528 ] [ 0.197419 0.979629 0.749421 ] [ 0.78221 0.802581 0.749421 ] [ 0.210973 0.195263 0.249528 ] [ 0.804737 0.015711 0.249528 ] [ 0.020371 0.21779 0.749421 ] [ 0.650956 0.12236 0.582861 ] [ 0.864085 0.312962 0.082754 ] [ 0.448877 0.135915 0.082754 ] [ 0.87764 0.528596 0.582861 ] [ 0.471404 0.349044 0.582861 ] [ 0.687038 0.551123 0.082754 ] [ 0.317623 0.455693 0.916194 ] [ 0.530752 0.646296 0.416088 ] [ 0.115543 0.469248 0.416088 ] [ 0.544307 0.861929 0.916194 ] [ 0.138071 0.682377 0.916194 ] [ 0.353704 0.884457 0.416088 ] [ 0.014571 0.210473 0.083724 ] [ 0.65079 0.122284 0.917391 ] [ 0.789527 0.804097 0.083724 ] [ 0.877716 0.528507 0.917391 ] [ 0.471493 0.34921 0.917391 ] [ 0.195903 0.985429 0.083724 ] [ 0.681237 0.543807 0.417057 ] [ 0.317457 0.455617 0.250725 ] [ 0.456193 0.137431 0.417057 ] [ 0.544383 0.86184 0.250725 ] [ 0.13816 0.682543 0.250725 ] [ 0.862569 0.318763 0.417057 ] [ 0.347904 0.87714 0.750391 ] [ 0.984124 0.78895 0.584058 ] [ 0.12286 0.470764 0.750391 ] [ 0.21105 0.195174 0.584058 ] [ 0.804826 0.015876 0.584058 ] [ 0.529236 0.652096 0.750391 ] [ 0.886302 0.106945 0.088506 ] [ 0.075544 0.205001 0.936071 ] [ 0.662919 0.010876 0.918559 ] [ 0.006433 0.324151 0.083834 ] [ 0.912653 0.788844 0.723567 ] [ 0.26036 0.462503 0.100766 ] [ 0.675849 0.682283 0.083834 ] [ 0.776261 0.229715 0.923137 ] [ 0.125371 0.921386 0.226157 ] [ 0.794999 0.870543 0.936071 ] [ 0.796015 0.874629 0.226157 ] [ 0.453454 0.223739 0.923137 ] [ 0.220643 0.113698 0.088506 ] [ 0.211156 0.12381 0.723567 ] [ 0.537497 0.797857 0.100766 ] [ 0.202143 0.73964 0.100766 ] [ 0.87619 0.087347 0.723567 ] [ 0.989124 0.652043 0.918559 ] [ 0.770285 0.546546 0.923137 ] [ 0.078614 0.203985 0.226157 ] [ 0.347957 0.337081 0.918559 ] [ 0.893055 0.779357 0.088506 ] [ 0.317717 0.993567 0.083834 ] [ 0.129457 0.924456 0.936071 ] [ 0.552969 0.440278 0.421839 ] [ 0.742211 0.538335 0.269404 ] [ 0.329585 0.344209 0.251893 ] [ 0.6731 0.657484 0.417167 ] [ 0.57932 0.122177 0.0569 ] [ 0.927027 0.795837 0.434099 ] [ 0.342516 0.015616 0.417167 ] [ 0.442928 0.563049 0.25647 ] [ 0.792037 0.254719 0.55949 ] [ 0.461665 0.203876 0.269404 ] [ 0.462682 0.207963 0.55949 ] [ 0.12012 0.557072 0.25647 ] [ 0.88731 0.447031 0.421839 ] [ 0.877823 0.457143 0.0569 ] [ 0.204163 0.13119 0.434099 ] [ 0.86881 0.072973 0.434099 ] [ 0.542857 0.42068 0.0569 ] [ 0.655791 0.985376 0.251893 ] [ 0.436951 0.87988 0.25647 ] [ 0.745281 0.537318 0.55949 ] [ 0.014624 0.670415 0.251893 ] [ 0.559722 0.11269 0.421839 ] [ 0.984384 0.3269 0.417167 ] [ 0.796124 0.257789 0.269404 ] [ 0.219635 0.773612 0.755173 ] [ 0.408877 0.871668 0.602738 ] [ 0.996252 0.677543 0.585226 ] [ 0.339767 0.990817 0.750501 ] [ 0.245987 0.45551 0.390234 ] [ 0.593694 0.12917 0.767433 ] [ 0.009183 0.348949 0.750501 ] [ 0.109595 0.896382 0.589803 ] [ 0.458704 0.588053 0.892824 ] [ 0.128332 0.53721 0.602738 ] [ 0.129349 0.541296 0.892824 ] [ 0.786787 0.890405 0.589803 ] [ 0.553976 0.780365 0.755173 ] [ 0.54449 0.790476 0.390234 ] [ 0.87083 0.464524 0.767433 ] [ 0.535476 0.406306 0.767433 ] [ 0.209524 0.754013 0.390234 ] [ 0.322457 0.318709 0.585226 ] [ 0.103618 0.213213 0.589803 ] [ 0.411947 0.870651 0.892824 ] [ 0.681291 0.003748 0.585226 ] [ 0.226388 0.446024 0.755173 ] [ 0.651051 0.660233 0.750501 ] [ 0.46279 0.591123 0.602738 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "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" "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" 14.02034361 "source-unit" "angstrom" } "alpha" { "source-value" 90 "source-unit" "degree" } }