{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2/m" } "basis-atom-coordinates" { "source-value" [ [ 0 0.5 0 ] [ 0.198939 0.5 0.398764 ] [ 0.801061 0.5 0.601236 ] [ 0.597812 0.246422 0.702452 ] [ 0.797176 0.246522 0.101245 ] [ 0.202824 0.246522 0.898755 ] [ 0 0.242572 0.5 ] [ 0.402188 0.246422 0.297548 ] [ 0.20618 0.5 0.651441 ] [ 0.20183 0.5 0.152074 ] [ 0.79382 0.5 0.348559 ] [ 0.79817 0.5 0.847926 ] [ 0.594021 0.5 0.9495 ] [ 0.396723 0.5 0.552156 ] [ 0.405979 0.5 0.0505 ] [ 0.603277 0.5 0.447844 ] [ 0.002891 0.5 0.752873 ] [ 0.997109 0.5 0.247127 ] [ 0.202824 0.753478 0.898755 ] [ 0.402188 0.753578 0.297548 ] [ 0.597812 0.753578 0.702452 ] [ 0.797176 0.753478 0.101245 ] [ 0 0.757428 0.5 ] [ 0.354813 0 0.450415 ] [ 0.045123 0 0.347266 ] [ 0.845016 0 0.948425 ] [ 0.250674 0 0.750672 ] [ 0.749326 0 0.249328 ] [ 0.954877 0 0.652734 ] [ 0.549108 0 0.850114 ] [ 0.645187 0 0.549585 ] [ 0.450892 0 0.149886 ] [ 0.154984 0 0.051575 ] [ 0.951373 0.259341 0.902615 ] [ 0.64948 0.247556 0.80066 ] [ 0.048627 0.259341 0.097385 ] [ 0.756323 0.259476 0.999995 ] [ 0.151009 0.25981 0.301773 ] [ 0.442071 0.25919 0.398504 ] [ 0.557929 0.25919 0.601496 ] [ 0.248492 0.258408 0.496357 ] [ 0.349991 0.245984 0.700287 ] [ 0.150778 0.247426 0.800252 ] [ 0.449879 0.24763 0.899778 ] [ 0.849222 0.247426 0.199748 ] [ 0.550121 0.24763 0.100222 ] [ 0.243677 0.259476 0.000005 ] [ 0.95626 0.258472 0.399022 ] [ 0.650009 0.245984 0.299713 ] [ 0.35052 0.247556 0.19934 ] [ 0.751508 0.258408 0.503643 ] [ 0.04374 0.258472 0.600978 ] [ 0.848991 0.25981 0.698227 ] [ 0.442071 0.74081 0.398504 ] [ 0.248492 0.741592 0.496357 ] [ 0.650009 0.754016 0.299713 ] [ 0.951373 0.740659 0.902615 ] [ 0.048627 0.740659 0.097385 ] [ 0.849222 0.752574 0.199748 ] [ 0.243677 0.740524 0.000005 ] [ 0.64948 0.752444 0.80066 ] [ 0.756323 0.740524 0.999995 ] [ 0.449879 0.75237 0.899778 ] [ 0.848991 0.74019 0.698227 ] [ 0.557929 0.74081 0.601496 ] [ 0.151009 0.74019 0.301773 ] [ 0.349991 0.754016 0.700287 ] [ 0.95626 0.741528 0.399022 ] [ 0.35052 0.752444 0.19934 ] [ 0.04374 0.741528 0.600978 ] [ 0.751508 0.741592 0.503643 ] [ 0.150778 0.752574 0.800252 ] [ 0.550121 0.75237 0.100222 ] ] } "species" { "source-value" [ "Cd" "Cd" "Cd" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "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" 8.11311789 "source-unit" "angstrom" } "b" { "source-value" 5.71540231 "source-unit" "angstrom" } "c" { "source-value" 20.69356849 "source-unit" "angstrom" } "beta" { "source-value" 101.23009168 "source-unit" "degree" } }