{ "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" [ [ 0.602377 0 0.75 ] [ 0.397623 0.5 0.25 ] [ 0.602377 0.5 0.75 ] [ 0.397623 0 0.25 ] [ 0.902504 0.75 0.4324 ] [ 0.097496 0.25 0.5676 ] [ 0.902504 0.25 0.0676 ] [ 0.097496 0.75 0.9324 ] [ 0.196234 0.75 0.648639 ] [ 0.803766 0.25 0.351361 ] [ 0.803766 0.75 0.148639 ] [ 0.196234 0.25 0.851361 ] [ 0.871874 0.08236 0.411405 ] [ 0.871874 0.58236 0.088595 ] [ 0.152688 0.75 0.328775 ] [ 0.659108 0.25 0.961955 ] [ 0.128126 0.08236 0.911405 ] [ 0.68656 0.75 0.258353 ] [ 0.128126 0.91764 0.588595 ] [ 0.31344 0.25 0.741647 ] [ 0.659108 0.75 0.538045 ] [ 0.847312 0.75 0.828775 ] [ 0.340892 0.25 0.461955 ] [ 0.128126 0.58236 0.588595 ] [ 0.31344 0.75 0.758353 ] [ 0.871874 0.41764 0.411405 ] [ 0.152688 0.25 0.171225 ] [ 0.68656 0.25 0.241647 ] [ 0.128126 0.41764 0.911405 ] [ 0.340892 0.75 0.038045 ] [ 0.871874 0.91764 0.088595 ] [ 0.847312 0.25 0.671225 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "U" "U" "U" "U" "B" "B" "B" "B" "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" 5.92790791 "source-unit" "angstrom" } "b" { "source-value" 6.90112342 "source-unit" "angstrom" } "c" { "source-value" 10.82057451 "source-unit" "angstrom" } }