{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pcmb" } "basis-atom-coordinates" { "source-value" [ [ 0.234437 0.75 0.547955 ] [ 0.765563 0.75 0.047955 ] [ 0.234437 0.25 0.952045 ] [ 0.765563 0.25 0.452045 ] [ 0.224344 0.25 0.552168 ] [ 0.775656 0.75 0.447832 ] [ 0.775656 0.25 0.052168 ] [ 0.224344 0.75 0.947832 ] [ 0.87178 0.25 0.758818 ] [ 0.12822 0.75 0.241182 ] [ 0.531557 0.75 0.787657 ] [ 0.531557 0.25 0.712343 ] [ 0.12822 0.25 0.258818 ] [ 0.468443 0.25 0.212343 ] [ 0.468443 0.75 0.287657 ] [ 0.87178 0.75 0.741182 ] [ 0.542965 0.75 0.925947 ] [ 0.072545 0.25 0.128579 ] [ 0.360929 0.25 0.766389 ] [ 0.771689 0.020769 0.048921 ] [ 0.228311 0.520769 0.951079 ] [ 0.771689 0.479231 0.048921 ] [ 0.684645 0.75 0.702834 ] [ 0.228311 0.020769 0.548921 ] [ 0.927455 0.75 0.871421 ] [ 0.457035 0.75 0.425947 ] [ 0.02012 0.75 0.130165 ] [ 0.97988 0.25 0.869835 ] [ 0.639071 0.75 0.233611 ] [ 0.97988 0.75 0.630165 ] [ 0.315355 0.25 0.297166 ] [ 0.771689 0.979231 0.451079 ] [ 0.927455 0.25 0.628579 ] [ 0.228311 0.979231 0.951079 ] [ 0.457035 0.25 0.074053 ] [ 0.228311 0.479231 0.548921 ] [ 0.684645 0.25 0.797166 ] [ 0.639071 0.25 0.266389 ] [ 0.02012 0.25 0.369835 ] [ 0.771689 0.520769 0.451079 ] [ 0.072545 0.75 0.371421 ] [ 0.315355 0.75 0.202834 ] [ 0.542965 0.25 0.574053 ] [ 0.360929 0.75 0.733611 ] ] } "species" { "source-value" [ "Mg" "Mg" "Mg" "Mg" "U" "U" "U" "U" "B" "B" "B" "B" "B" "B" "B" "B" "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" 7.39399212 "source-unit" "angstrom" } "b" { "source-value" 8.02298833 "source-unit" "angstrom" } "c" { "source-value" 9.87627679 "source-unit" "angstrom" } }