{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.630973 0.403808 ] [ 0.25 0.48026 0.826735 ] [ 0.75 0.01974 0.326735 ] [ 0.75 0.369027 0.596192 ] [ 0.75 0.51974 0.173265 ] [ 0.25 0.98026 0.673265 ] [ 0.25 0.130973 0.096192 ] [ 0.75 0.869027 0.903808 ] [ 0.25 0.728644 0.076695 ] [ 0.75 0.771356 0.576695 ] [ 0.25 0.228644 0.423305 ] [ 0.75 0.271356 0.923305 ] [ 0.501515 0.321996 0.345451 ] [ 0.25 0.314672 0.589074 ] [ 0.25 0.814672 0.910926 ] [ 0.998485 0.821996 0.154549 ] [ 0.001515 0.178004 0.845451 ] [ 0.498485 0.178004 0.845451 ] [ 0.498485 0.678004 0.654549 ] [ 0.75 0.008586 0.593302 ] [ 0.001515 0.678004 0.654549 ] [ 0.75 0.508586 0.906698 ] [ 0.501515 0.821996 0.154549 ] [ 0.998485 0.321996 0.345451 ] [ 0.25 0.491414 0.093302 ] [ 0.25 0.991414 0.406698 ] [ 0.75 0.685328 0.410926 ] [ 0.75 0.185328 0.089074 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Mn" "Mn" "Mn" "Mn" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.99538969042 "source-unit" "angstrom" } "b" { "source-value" 10.4208175388 "source-unit" "angstrom" } "c" { "source-value" 14.0877631526 "source-unit" "angstrom" } }