{ "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" [ [ 0.802794 0.580827 0.159856 ] [ 0.936069 0.332297 0.703347 ] [ 0.063931 0.667703 0.296653 ] [ 0.436069 0.167703 0.203347 ] [ 0.444632 0.973253 0.222428 ] [ 0.055368 0.473253 0.277572 ] [ 0.563931 0.832297 0.796653 ] [ 0.944632 0.526747 0.722428 ] [ 0.697206 0.080827 0.340144 ] [ 0.555368 0.026747 0.777572 ] [ 0.302794 0.919173 0.659856 ] [ 0.197206 0.419173 0.840144 ] [ 0.447577 0.906302 0.569371 ] [ 0.584805 0.967506 0.128376 ] [ 0.802633 0.513768 0.813711 ] [ 0.255986 0.683219 0.391848 ] [ 0.744014 0.316781 0.608152 ] [ 0.418538 0.841003 0.887845 ] [ 0.697367 0.013768 0.686289 ] [ 0.821272 0.18164 0.391449 ] [ 0.252206 0.948351 0.130234 ] [ 0.192355 0.017881 0.594427 ] [ 0.081462 0.341003 0.612155 ] [ 0.163091 0.929814 0.75364 ] [ 0.51159 0.857451 0.265308 ] [ 0.197624 0.677041 0.200634 ] [ 0.918538 0.658997 0.387845 ] [ 0.084805 0.532494 0.628376 ] [ 0.415195 0.032494 0.871624 ] [ 0.302376 0.177041 0.299366 ] [ 0.012638 0.215168 0.732164 ] [ 0.01159 0.642549 0.765308 ] [ 0.581462 0.158997 0.112155 ] [ 0.747794 0.051649 0.869766 ] [ 0.552423 0.093698 0.430629 ] [ 0.697624 0.822959 0.700634 ] [ 0.512638 0.284832 0.232164 ] [ 0.48841 0.142549 0.734692 ] [ 0.915195 0.467506 0.371624 ] [ 0.987362 0.784832 0.267836 ] [ 0.178728 0.81836 0.608551 ] [ 0.321272 0.31836 0.891449 ] [ 0.678728 0.68164 0.108551 ] [ 0.487362 0.715168 0.767836 ] [ 0.947577 0.593698 0.069371 ] [ 0.802376 0.322959 0.799366 ] [ 0.755986 0.816781 0.891848 ] [ 0.197367 0.486232 0.186289 ] [ 0.247794 0.448351 0.369766 ] [ 0.302633 0.986232 0.313711 ] [ 0.807645 0.982119 0.405573 ] [ 0.692355 0.482119 0.094427 ] [ 0.663091 0.570186 0.25364 ] [ 0.244014 0.183219 0.108152 ] [ 0.98841 0.357451 0.234692 ] [ 0.752206 0.551649 0.630234 ] [ 0.336909 0.429814 0.74636 ] [ 0.052423 0.406302 0.930629 ] [ 0.836909 0.070186 0.24636 ] [ 0.307645 0.517881 0.905573 ] [ 0.43857 0.644243 0.748254 ] [ 0.052382 0.714358 0.786917 ] [ 0.130601 0.079971 0.556174 ] [ 0.869399 0.920029 0.443826 ] [ 0.071689 0.934558 0.804459 ] [ 0.428311 0.434558 0.695541 ] [ 0.604204 0.742988 0.07632 ] [ 0.77715 0.809678 0.644802 ] [ 0.976534 0.39764 0.988832 ] [ 0.06143 0.144243 0.751746 ] [ 0.339062 0.041051 0.929623 ] [ 0.72285 0.309678 0.855198 ] [ 0.023466 0.60236 0.011168 ] [ 0.93857 0.855757 0.248254 ] [ 0.552382 0.785642 0.286917 ] [ 0.630601 0.420029 0.056174 ] [ 0.371413 0.694665 0.449874 ] [ 0.787897 0.013176 0.634615 ] [ 0.571689 0.565442 0.304459 ] [ 0.712103 0.513176 0.865385 ] [ 0.523466 0.89764 0.511168 ] [ 0.27715 0.690322 0.144802 ] [ 0.56143 0.355757 0.251746 ] [ 0.395796 0.257012 0.92368 ] [ 0.369399 0.579971 0.943826 ] [ 0.947618 0.285642 0.213083 ] [ 0.128587 0.194665 0.050126 ] [ 0.160938 0.541051 0.570377 ] [ 0.132178 0.934692 0.07677 ] [ 0.928311 0.065442 0.195541 ] [ 0.22285 0.190322 0.355198 ] [ 0.632178 0.565308 0.57677 ] [ 0.165393 0.341569 0.557383 ] [ 0.867822 0.065308 0.92323 ] [ 0.665393 0.158431 0.057383 ] [ 0.104204 0.757012 0.57632 ] [ 0.447618 0.214358 0.713083 ] [ 0.871413 0.805335 0.949874 ] [ 0.628587 0.305335 0.550126 ] [ 0.839062 0.458949 0.429623 ] [ 0.367822 0.434692 0.42323 ] [ 0.660938 0.958949 0.070377 ] [ 0.834607 0.658431 0.442617 ] [ 0.895796 0.242988 0.42368 ] [ 0.476534 0.10236 0.488832 ] [ 0.334607 0.841569 0.942617 ] [ 0.212103 0.986824 0.365385 ] [ 0.287897 0.486824 0.134615 ] ] } "species" { "source-value" [ "Os" "Os" "Os" "Os" "Os" "Os" "Os" "Os" "Os" "Os" "Os" "Os" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "C" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 8.17256068246 "source-unit" "angstrom" } "b" { "source-value" 15.14052971 "source-unit" "angstrom" } "c" { "source-value" 14.782056647 "source-unit" "angstrom" } "beta" { "source-value" 100.90920528 "source-unit" "degree" } }