{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_12_12_1" } "basis-atom-coordinates" { "source-value" [ [ 0.793341 0.511667 0.489605 ] [ 0.203367 0.30162 0.144358 ] [ 0.716783 0.021207 0.508841 ] [ 0.514938 0.799546 0.505964 ] [ 0.255 0.043648 0.76316 ] [ 0.562223 0.577369 0.369077 ] [ 0.485062 0.299546 0.994036 ] [ 0.021871 0.783385 0.00463 ] [ 0.510621 0.99606 0.924904 ] [ 0.264094 0.543971 0.254192 ] [ 0.783217 0.978793 0.008841 ] [ 0.698499 0.299567 0.639449 ] [ 0.764094 0.956029 0.745808 ] [ 0.735906 0.043971 0.245808 ] [ 0.995814 0.711042 0.774674 ] [ 0.489379 0.49606 0.575096 ] [ 0.293341 0.988333 0.510395 ] [ 0.245 0.956352 0.26316 ] [ 0.504186 0.288958 0.274674 ] [ 0.004186 0.211042 0.725326 ] [ 0.937777 0.422631 0.869077 ] [ 0.235906 0.456029 0.754192 ] [ 0.014938 0.700454 0.494036 ] [ 0.052732 0.748631 0.255301 ] [ 0.198499 0.200433 0.360551 ] [ 0.706659 0.488333 0.989605 ] [ 0.283217 0.521207 0.991159 ] [ 0.206659 0.011667 0.010395 ] [ 0.216783 0.478793 0.491159 ] [ 0.447268 0.251369 0.755301 ] [ 0.745 0.543648 0.73684 ] [ 0.296633 0.69838 0.644358 ] [ 0.796633 0.80162 0.355642 ] [ 0.495814 0.788958 0.225326 ] [ 0.801501 0.700433 0.139449 ] [ 0.478129 0.216615 0.50463 ] [ 0.755 0.456352 0.23684 ] [ 0.947268 0.248631 0.244699 ] [ 0.062223 0.922631 0.630923 ] [ 0.521871 0.716615 0.99537 ] [ 0.437777 0.077369 0.130923 ] [ 0.552732 0.751369 0.744699 ] [ 0.989379 0.00394 0.424904 ] [ 0.978129 0.283385 0.49537 ] [ 0.703367 0.19838 0.855642 ] [ 0.010621 0.50394 0.075096 ] [ 0.301501 0.799567 0.860551 ] [ 0.985062 0.200454 0.005964 ] [ 0.271822 0.766409 0.092192 ] [ 0.728178 0.266409 0.407808 ] [ 0.499188 0.502986 0.824207 ] [ 0.999321 0.9898 0.850157 ] [ 0.266698 0.743133 0.420534 ] [ 0.000679 0.4898 0.649843 ] [ 0.766698 0.756867 0.579466 ] [ 0.500679 0.0102 0.350157 ] [ 0.999188 0.997014 0.175793 ] [ 0.500812 0.002986 0.675793 ] [ 0.733302 0.243133 0.079466 ] [ 0.499321 0.5102 0.149843 ] [ 0.233302 0.256867 0.920534 ] [ 0.228178 0.233591 0.592192 ] [ 0.000812 0.497014 0.324207 ] [ 0.771822 0.733591 0.907808 ] [ 0.119495 0.120299 0.568817 ] [ 0.660818 0.843966 0.893515 ] [ 0.839182 0.156034 0.393515 ] [ 0.614058 0.901861 0.356479 ] [ 0.111175 0.109238 0.177522 ] [ 0.619495 0.379701 0.431183 ] [ 0.160818 0.656034 0.106485 ] [ 0.885942 0.098139 0.856479 ] [ 0.380505 0.879701 0.068817 ] [ 0.385696 0.116675 0.337785 ] [ 0.388825 0.890762 0.677522 ] [ 0.385942 0.401861 0.143521 ] [ 0.876708 0.86805 0.557587 ] [ 0.153263 0.853935 0.414686 ] [ 0.346737 0.146065 0.914686 ] [ 0.653263 0.646065 0.585314 ] [ 0.388886 0.61545 0.822929 ] [ 0.376708 0.63195 0.442413 ] [ 0.846737 0.353935 0.085314 ] [ 0.114304 0.883325 0.837785 ] [ 0.614304 0.616675 0.162215 ] [ 0.888886 0.88455 0.177071 ] [ 0.339182 0.343966 0.606485 ] [ 0.114058 0.598139 0.643521 ] [ 0.880505 0.620299 0.931183 ] [ 0.111114 0.38455 0.322929 ] [ 0.123292 0.36805 0.942413 ] [ 0.611114 0.11545 0.677071 ] [ 0.885696 0.383325 0.662215 ] [ 0.611175 0.390762 0.822478 ] [ 0.623292 0.13195 0.057587 ] [ 0.888825 0.609238 0.322478 ] ] } "species" { "source-value" [ "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Rb" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "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" 12.99647333 "source-unit" "angstrom" } "b" { "source-value" 13.03424678 "source-unit" "angstrom" } "c" { "source-value" 14.75043545 "source-unit" "angstrom" } }