{ "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" [ [ 0.336462 0.462424 0.226181 ] [ 0.177563 0.837022 0.894302 ] [ 0.677563 0.662978 0.394302 ] [ 0.322437 0.337022 0.605698 ] [ 0.822437 0.162978 0.105698 ] [ 0.836462 0.037576 0.726181 ] [ 0.663538 0.537576 0.773819 ] [ 0.163538 0.962424 0.273819 ] [ 0.333358 0.832552 0.610205 ] [ 0.166642 0.332552 0.889795 ] [ 0.833358 0.667448 0.110205 ] [ 0.666642 0.167448 0.389795 ] [ 0.808305 0.251336 0.409235 ] [ 0.828337 0.545705 0.063936 ] [ 0.671663 0.045705 0.436064 ] [ 0.171663 0.454295 0.936064 ] [ 0.691695 0.751336 0.090765 ] [ 0.191695 0.748664 0.590765 ] [ 0.328337 0.954295 0.563936 ] [ 0.308305 0.248664 0.909235 ] [ 0.053141 0.092102 0.169205 ] [ 0.482789 0.540829 0.136727 ] [ 0.332089 0.090357 0.305519 ] [ 0.11319 0.271628 0.547859 ] [ 0.301882 0.495965 0.541056 ] [ 0.517211 0.459171 0.863273 ] [ 0.294784 0.903207 0.170271 ] [ 0.255533 0.846312 0.371171 ] [ 0.755533 0.653688 0.871171 ] [ 0.715346 0.091241 0.219178 ] [ 0.198118 0.995965 0.958944 ] [ 0.625435 0.809151 0.31601 ] [ 0.478093 0.646878 0.729182 ] [ 0.874565 0.309151 0.18399 ] [ 0.832089 0.409643 0.805519 ] [ 0.167911 0.590357 0.194481 ] [ 0.543041 0.72887 0.497183 ] [ 0.205216 0.403207 0.329729 ] [ 0.38681 0.771628 0.952141 ] [ 0.698118 0.504035 0.458944 ] [ 0.456959 0.27113 0.502817 ] [ 0.982789 0.959171 0.636727 ] [ 0.521907 0.353122 0.270818 ] [ 0.801882 0.004035 0.041056 ] [ 0.017211 0.040829 0.363273 ] [ 0.021907 0.146878 0.770818 ] [ 0.744467 0.153688 0.628829 ] [ 0.956959 0.22887 0.002817 ] [ 0.946859 0.907898 0.830795 ] [ 0.125435 0.690849 0.81601 ] [ 0.705216 0.096793 0.829729 ] [ 0.667911 0.909643 0.694481 ] [ 0.244467 0.346312 0.128829 ] [ 0.88681 0.728372 0.452141 ] [ 0.553141 0.407898 0.669205 ] [ 0.374565 0.190849 0.68399 ] [ 0.284654 0.908759 0.780822 ] [ 0.978093 0.853122 0.229182 ] [ 0.446859 0.592102 0.330795 ] [ 0.61319 0.228372 0.047859 ] [ 0.794784 0.596793 0.670271 ] [ 0.784654 0.591241 0.280822 ] [ 0.043041 0.77113 0.997183 ] [ 0.215346 0.408759 0.719178 ] ] } "species" { "source-value" [ "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Sb" "Cl" "Cl" "Cl" "Cl" "O" "O" "O" "O" "O" "O" "O" "O" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.7762677142 "source-unit" "angstrom" } "b" { "source-value" 10.53498017 "source-unit" "angstrom" } "c" { "source-value" 13.4601722922 "source-unit" "angstrom" } "beta" { "source-value" 93.9317719686 "source-unit" "degree" } }