{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/m" } "basis-atom-coordinates" { "source-value" [ [ 0.239757 0.503417 0.181564 ] [ 0.239757 0.996583 0.181564 ] [ 0.760243 0.496583 0.818436 ] [ 0.760243 0.003417 0.818436 ] [ 0.763756 0.75 0.360685 ] [ 0.236244 0.25 0.639315 ] [ 0.73762 0.75 0.086252 ] [ 0.26238 0.25 0.913748 ] [ 0.720916 0.25 0.402826 ] [ 0.279084 0.75 0.597174 ] [ 0.271866 0.25 0.049284 ] [ 0.957309 0.75 0.169516 ] [ 0.5326 0.75 0.176406 ] [ 0.847549 0.08134 0.343162 ] [ 0.847549 0.41866 0.343162 ] [ 0.247391 0.75 0.442345 ] [ 0.460824 0.25 0.366026 ] [ 0.539176 0.75 0.633974 ] [ 0.752609 0.25 0.557655 ] [ 0.152451 0.58134 0.656838 ] [ 0.152451 0.91866 0.656838 ] [ 0.4674 0.25 0.823594 ] [ 0.042691 0.25 0.830484 ] [ 0.728134 0.75 0.950716 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Bi" "Bi" "B" "B" "S" "S" "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" 5.52820013 "source-unit" "angstrom" } "b" { "source-value" 7.0789993 "source-unit" "angstrom" } "c" { "source-value" 9.676588 "source-unit" "angstrom" } "beta" { "source-value" 91.17169151 "source-unit" "degree" } }