{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-1" } "basis-atom-coordinates" { "source-value" [ [ 0.275003 0.244697 0.41692 ] [ 0.724997 0.755303 0.58308 ] [ 0.198429 0.553231 0.741083 ] [ 0.801571 0.446769 0.258917 ] [ 0.297733 0.004268 0.069314 ] [ 0.702267 0.995732 0.930686 ] [ 0.034753 0.83452 0.275396 ] [ 0.449688 0.697188 0.081421 ] [ 0.550312 0.302812 0.918579 ] [ 0.965247 0.16548 0.724604 ] [ 0.199806 0.982336 0.203389 ] [ 0.261907 0.60487 0.975683 ] [ 0.084405 0.800545 0.495715 ] [ 0.981432 0.351627 0.749634 ] [ 0.800194 0.017664 0.796611 ] [ 0.447135 0.167691 0.07777 ] [ 0.595788 0.17784 0.837277 ] [ 0.162025 0.048441 0.856495 ] [ 0.837975 0.951559 0.143505 ] [ 0.409292 0.460495 0.724405 ] [ 0.915595 0.199455 0.504285 ] [ 0.018568 0.648373 0.250366 ] [ 0.552865 0.832309 0.92223 ] [ 0.590708 0.539505 0.275595 ] [ 0.404212 0.82216 0.162723 ] [ 0.738093 0.39513 0.024317 ] ] } "species" { "source-value" [ "Rb" "Rb" "Zn" "Zn" "B" "B" "P" "P" "P" "P" "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" 7.54680880252 "source-unit" "angstrom" } "b" { "source-value" 7.75712880499 "source-unit" "angstrom" } "c" { "source-value" 7.95980811089 "source-unit" "angstrom" } "alpha" { "source-value" 118.628412342 "source-unit" "degree" } "beta" { "source-value" 101.661631919 "source-unit" "degree" } "gamma" { "source-value" 103.708773357 "source-unit" "degree" } }