{ "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" [ [ 0.119325 0.777493 0.366863 ] [ 0.880675 0.222507 0.633137 ] [ 0.619325 0.722507 0.366863 ] [ 0.380675 0.277493 0.633137 ] [ 0.680023 0.733895 0.844963 ] [ 0.819977 0.233895 0.155037 ] [ 0.319977 0.266105 0.155037 ] [ 0.180023 0.766105 0.844963 ] [ 0.789678 0.444482 0.963934 ] [ 0.710322 0.944482 0.036066 ] [ 0.945696 0.846234 0.822477 ] [ 0.445696 0.653766 0.822477 ] [ 0.210322 0.555518 0.036066 ] [ 0.289678 0.055518 0.963934 ] [ 0.054304 0.153766 0.177523 ] [ 0.554304 0.346234 0.177523 ] [ 0.312085 0.452298 0.373779 ] [ 0.877654 0.520964 0.316582 ] [ 0.187915 0.952298 0.626221 ] [ 0.122346 0.479036 0.683418 ] [ 0.622346 0.020964 0.683418 ] [ 0.377654 0.979036 0.316582 ] [ 0.687915 0.547702 0.626221 ] [ 0.812085 0.047702 0.373779 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Nb" "Nb" "Nb" "Nb" "O" "O" "O" "O" "O" "O" "O" "O" "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" 7.75308652575 "source-unit" "angstrom" } "b" { "source-value" 5.49676595 "source-unit" "angstrom" } "c" { "source-value" 8.2034016999 "source-unit" "angstrom" } "beta" { "source-value" 102.303743608 "source-unit" "degree" } }