{ "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" [ [ 0.972346 0.634431 0.68772 ] [ 0.472346 0.865569 0.18772 ] [ 0.527654 0.134431 0.81228 ] [ 0.027654 0.365569 0.31228 ] [ 0.457874 0.749629 0.813567 ] [ 0.557667 0.226145 0.395613 ] [ 0.042126 0.249629 0.686433 ] [ 0.542126 0.250371 0.186433 ] [ 0.942333 0.726145 0.104387 ] [ 0.442333 0.773855 0.604387 ] [ 0.514937 0.518318 0.682777 ] [ 0.014937 0.981682 0.182777 ] [ 0.485063 0.481682 0.317223 ] [ 0.057667 0.273855 0.895613 ] [ 0.985063 0.018318 0.817223 ] [ 0.957874 0.750371 0.313567 ] [ 0.002389 0.902715 0.308278 ] [ 0.461184 0.621304 0.57447 ] [ 0.038816 0.121304 0.92553 ] [ 0.497611 0.402715 0.191722 ] [ 0.538816 0.378696 0.42553 ] [ 0.961184 0.878696 0.07447 ] [ 0.502389 0.597285 0.808278 ] [ 0.997611 0.097285 0.691722 ] [ 0.362684 0.013617 0.74768 ] [ 0.856686 0.707272 0.829698 ] [ 0.428944 0.284184 0.900709 ] [ 0.164616 0.467565 0.424449 ] [ 0.071056 0.784184 0.599291 ] [ 0.664616 0.032435 0.924449 ] [ 0.648342 0.862384 0.574113 ] [ 0.137316 0.513617 0.75232 ] [ 0.637316 0.986383 0.25232 ] [ 0.643314 0.207272 0.670302 ] [ 0.862684 0.486383 0.24768 ] [ 0.143314 0.292728 0.170302 ] [ 0.835384 0.532435 0.575551 ] [ 0.356686 0.792728 0.329698 ] [ 0.148342 0.637616 0.074113 ] [ 0.851658 0.362384 0.925887 ] [ 0.928944 0.215816 0.400709 ] [ 0.571056 0.715816 0.099291 ] [ 0.351658 0.137616 0.425887 ] [ 0.335384 0.967565 0.075551 ] ] } "species" { "source-value" [ "Ga" "Ga" "Ga" "Ga" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "Se" "N" "N" "N" "N" "N" "N" "N" "N" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" "Cl" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.8089409696 "source-unit" "angstrom" } "b" { "source-value" 11.17585562 "source-unit" "angstrom" } "c" { "source-value" 11.8396179342 "source-unit" "angstrom" } "beta" { "source-value" 90.9522562116 "source-unit" "degree" } }