{ "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 0 0 ] [ 0 0.5 0.5 ] [ 0.258561 0.996214 0.642305 ] [ 0.741439 0.003786 0.357695 ] [ 0.258561 0.503786 0.142305 ] [ 0.741439 0.496214 0.857695 ] [ 0.759062 0.755725 0.595011 ] [ 0.240938 0.255725 0.904989 ] [ 0.776131 0.242282 0.115861 ] [ 0.223869 0.757718 0.884139 ] [ 0.297351 0.505534 0.65811 ] [ 0.223869 0.742282 0.384139 ] [ 0.240938 0.244275 0.404989 ] [ 0.759062 0.744275 0.095011 ] [ 0.702649 0.494466 0.34189 ] [ 0.776131 0.257718 0.615861 ] [ 0.297351 0.994466 0.15811 ] [ 0.702649 0.005534 0.84189 ] [ 0.381069 0.831642 0.895971 ] [ 0.091832 0.326126 0.427967 ] [ 0.397676 0.316222 0.42298 ] [ 0.091832 0.173874 0.927967 ] [ 0.92044 0.33426 0.582603 ] [ 0.813298 0.535682 0.275819 ] [ 0.618931 0.168358 0.104029 ] [ 0.92044 0.16574 0.082603 ] [ 0.775547 0.018722 0.930758 ] [ 0.602324 0.816222 0.07702 ] [ 0.908168 0.673874 0.572033 ] [ 0.224453 0.981278 0.069242 ] [ 0.908168 0.826126 0.072033 ] [ 0.775547 0.481278 0.430758 ] [ 0.618931 0.331642 0.604029 ] [ 0.224453 0.518722 0.569242 ] [ 0.397676 0.183778 0.92298 ] [ 0.186702 0.464318 0.724181 ] [ 0.186702 0.035682 0.224181 ] [ 0.813298 0.964318 0.775819 ] [ 0.07956 0.66574 0.417397 ] [ 0.07956 0.83426 0.917397 ] [ 0.602324 0.683778 0.57702 ] [ 0.381069 0.668358 0.395971 ] [ 0.274434 0.176134 0.594442 ] [ 0.524994 0.494436 0.833324 ] [ 0.772072 0.579583 0.755183 ] [ 0.957464 0.003096 0.381419 ] [ 0.475006 0.505564 0.166676 ] [ 0.227928 0.420417 0.244817 ] [ 0.725566 0.676134 0.905558 ] [ 0.772072 0.920417 0.255183 ] [ 0.242811 0.815099 0.691093 ] [ 0.757189 0.315099 0.808907 ] [ 0.227928 0.079583 0.744817 ] [ 0.757189 0.184901 0.308907 ] [ 0.289283 0.588012 0.040085 ] [ 0.710717 0.088012 0.459915 ] [ 0.242811 0.684901 0.191093 ] [ 0.710717 0.411988 0.959915 ] [ 0.042536 0.996904 0.618581 ] [ 0.475006 0.994436 0.666676 ] [ 0.289283 0.911988 0.540085 ] [ 0.042536 0.503096 0.118581 ] [ 0.957464 0.496904 0.881419 ] [ 0.274434 0.323866 0.094442 ] [ 0.725566 0.823866 0.405558 ] [ 0.524994 0.005564 0.333324 ] ] } "species" { "source-value" [ "Ni" "Ni" "As" "As" "As" "As" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 8.09283798876 "source-unit" "angstrom" } "b" { "source-value" 8.94998516 "source-unit" "angstrom" } "c" { "source-value" 15.4317735746 "source-unit" "angstrom" } "beta" { "source-value" 92.9631720855 "source-unit" "degree" } }