{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-rhombohedral-crystal-npt" "instance-id" 1 "space-group" { "source-value" "R3c" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0.941882 ] [ 0.333333 0.666667 0.108549 ] [ 0.666667 0.333333 0.275216 ] [ 0 0 0.441882 ] [ 0.333333 0.666667 0.608549 ] [ 0.666667 0.333333 0.775216 ] [ 0.034117 0.689247 0.999736 ] [ 0.988463 0.355914 0.166402 ] [ 0.36745 0.011537 0.166402 ] [ 0.310753 0.34487 0.999736 ] [ 0.65513 0.965883 0.999736 ] [ 0.644086 0.63255 0.166402 ] [ 0.700784 0.02258 0.333069 ] [ 0.65513 0.689247 0.499736 ] [ 0.034117 0.34487 0.499736 ] [ 0.97742 0.678203 0.333069 ] [ 0.321797 0.299216 0.333069 ] [ 0.310753 0.965883 0.499736 ] [ 0.36745 0.355914 0.666402 ] [ 0.321797 0.02258 0.833069 ] [ 0.700784 0.678203 0.833069 ] [ 0.644086 0.011537 0.666402 ] [ 0.988463 0.63255 0.666402 ] [ 0.97742 0.299216 0.833069 ] [ 0.233622 0.14408 0.013202 ] [ 0.237702 0.07922 0.876803 ] [ 0.266341 0.107117 0.159361 ] [ 0.132374 0.790448 0.949433 ] [ 0.991407 0.457115 0.116099 ] [ 0.507442 0.44045 0.992694 ] [ 0.174852 0.745887 0.04347 ] [ 0.892883 0.159224 0.159361 ] [ 0.577125 0.477413 0.846536 ] [ 0.841518 0.762298 0.876803 ] [ 0.465708 0.008593 0.116099 ] [ 0.522587 0.099711 0.846536 ] [ 0.55955 0.066993 0.992694 ] [ 0.910458 0.766378 0.013202 ] [ 0.209552 0.341926 0.949433 ] [ 0.254113 0.428965 0.04347 ] [ 0.571035 0.825148 0.04347 ] [ 0.933007 0.492558 0.992694 ] [ 0.900289 0.422875 0.846536 ] [ 0.658074 0.867626 0.949433 ] [ 0.542885 0.534292 0.116099 ] [ 0.85592 0.089542 0.013202 ] [ 0.92078 0.158482 0.876803 ] [ 0.840776 0.733659 0.159361 ] [ 0.900289 0.477413 0.346536 ] [ 0.904369 0.412554 0.210137 ] [ 0.933007 0.44045 0.492694 ] [ 0.799041 0.123781 0.282766 ] [ 0.658074 0.790448 0.449433 ] [ 0.174109 0.773783 0.326028 ] [ 0.841518 0.07922 0.376803 ] [ 0.55955 0.492558 0.492694 ] [ 0.243791 0.810747 0.179869 ] [ 0.508185 0.095631 0.210137 ] [ 0.132374 0.341926 0.449433 ] [ 0.189253 0.433045 0.179869 ] [ 0.226217 0.400326 0.326028 ] [ 0.577125 0.099711 0.346536 ] [ 0.876219 0.67526 0.282766 ] [ 0.92078 0.762298 0.376803 ] [ 0.237702 0.158482 0.376803 ] [ 0.599674 0.825891 0.326028 ] [ 0.566955 0.756209 0.179869 ] [ 0.32474 0.200959 0.282766 ] [ 0.209552 0.867626 0.449433 ] [ 0.522587 0.422875 0.346536 ] [ 0.587446 0.491815 0.210137 ] [ 0.507442 0.066993 0.492694 ] [ 0.566955 0.810747 0.679869 ] [ 0.571035 0.745887 0.54347 ] [ 0.599674 0.773783 0.826028 ] [ 0.465708 0.457115 0.616099 ] [ 0.32474 0.123781 0.782766 ] [ 0.840776 0.107117 0.659361 ] [ 0.508185 0.412554 0.710137 ] [ 0.226217 0.825891 0.826028 ] [ 0.910458 0.14408 0.513202 ] [ 0.174852 0.428965 0.54347 ] [ 0.799041 0.67526 0.782766 ] [ 0.85592 0.766378 0.513202 ] [ 0.892883 0.733659 0.659361 ] [ 0.243791 0.433045 0.679869 ] [ 0.542885 0.008593 0.616099 ] [ 0.587446 0.095631 0.710137 ] [ 0.904369 0.491815 0.710137 ] [ 0.266341 0.159224 0.659361 ] [ 0.233622 0.089542 0.513202 ] [ 0.991407 0.534292 0.616099 ] [ 0.876219 0.200959 0.782766 ] [ 0.189253 0.756209 0.679869 ] [ 0.254113 0.825148 0.54347 ] [ 0.174109 0.400326 0.826028 ] ] } "species" { "source-value" [ "Ho" "Ho" "Ho" "Ho" "Ho" "Ho" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "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" 8.25243884 "source-unit" "angstrom" } "alpha" { "source-value" 90 "source-unit" "degree" } }