{ "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" [ [ 0.000006 0.525302 0.361091 ] [ 0.176214 0.74503 0.749255 ] [ 0.000337 0.946415 0.805643 ] [ 0.658997 0.745591 0.804216 ] [ 0.161999 0.74916 0.529441 ] [ 0.499994 0.474698 0.861091 ] [ 0.664971 0.745537 0.696438 ] [ 0.67707 0.747353 0.916283 ] [ 0.158967 0.746158 0.637521 ] [ 0.176848 0.752608 0.417163 ] [ 0.33542 0.253898 0.36302 ] [ 0.335029 0.245537 0.803562 ] [ 0.999663 0.446415 0.694357 ] [ 0.164971 0.754463 0.303562 ] [ 0.499663 0.053585 0.305643 ] [ 0.158997 0.754409 0.195784 ] [ 0.323786 0.25497 0.249255 ] [ 0.999884 0.024469 0.47215 ] [ 0.660841 0.750803 0.029489 ] [ 0.500337 0.553585 0.194357 ] [ 0.835029 0.254463 0.196438 ] [ 0.17707 0.752647 0.083717 ] [ 0.32293 0.247353 0.583717 ] [ 0.839159 0.249197 0.529489 ] [ 0.341003 0.245591 0.695784 ] [ 0.999994 0.025302 0.138909 ] [ 0.838001 0.24916 0.970559 ] [ 0.323152 0.247392 0.917163 ] [ 0.661999 0.75084 0.470559 ] [ 0.676848 0.747392 0.582837 ] [ 0.341033 0.253842 0.137521 ] [ 0.338001 0.25084 0.029441 ] [ 0.658967 0.753842 0.362479 ] [ 0.500116 0.975531 0.97215 ] [ 0.676214 0.75497 0.250745 ] [ 0.82293 0.252647 0.416283 ] [ 0.160841 0.749197 0.970511 ] [ 0.823786 0.24503 0.750745 ] [ 0.66458 0.753898 0.13698 ] [ 0.16458 0.746102 0.86302 ] [ 0.500006 0.974698 0.638909 ] [ 0.823152 0.252608 0.082837 ] [ 0.841033 0.246158 0.862479 ] [ 0.83542 0.246102 0.63698 ] [ 0.000116 0.524469 0.02785 ] [ 0.339159 0.250803 0.470511 ] [ 0.499884 0.475531 0.52785 ] [ 0.841003 0.254409 0.304216 ] [ 0.501169 0.501808 0.416686 ] [ 0.49979 0.500089 0.638958 ] [ 0.999133 0.000393 0.9166 ] [ 0.500742 0.001569 0.194476 ] [ 0.000867 0.500393 0.5834 ] [ 0.998994 0.501664 0.472247 ] [ 0.99979 0.999911 0.361042 ] [ 0.500867 0.999607 0.4166 ] [ 0.000742 0.498431 0.805524 ] [ 0.501006 0.498336 0.972247 ] [ 0.001006 0.001664 0.027753 ] [ 0.999463 0.001065 0.250028 ] [ 0.998831 0.498192 0.916686 ] [ 0.001169 0.998192 0.583314 ] [ 0.499258 0.501569 0.305524 ] [ 0.00021 0.499911 0.138958 ] [ 0.000537 0.501065 0.249972 ] [ 0.50021 0.000089 0.861042 ] [ 0.999258 0.998431 0.694476 ] [ 0.498831 0.001808 0.083314 ] [ 0.499463 0.498935 0.749972 ] [ 0.498994 0.998336 0.527753 ] [ 0.499133 0.499607 0.0834 ] [ 0.500537 0.998935 0.750028 ] [ 0.880481 0.086476 0.972079 ] [ 0.690771 0.585087 0.924716 ] [ 0.619702 0.916261 0.138993 ] [ 0.689107 0.916997 0.242246 ] [ 0.310893 0.416997 0.257754 ] [ 0.309887 0.415807 0.131416 ] [ 0.119519 0.586476 0.527921 ] [ 0.309369 0.083593 0.702092 ] [ 0.690113 0.915807 0.368584 ] [ 0.194766 0.590269 0.426351 ] [ 0.300864 0.09118 0.371988 ] [ 0.19627 0.591923 0.295821 ] [ 0.304149 0.412828 0.462489 ] [ 0.301752 0.092174 0.239324 ] [ 0.810085 0.414733 0.091259 ] [ 0.699136 0.59118 0.128012 ] [ 0.69627 0.908077 0.704179 ] [ 0.80373 0.091923 0.204179 ] [ 0.378989 0.083459 0.805482 ] [ 0.10238 0.592078 0.194216 ] [ 0.880298 0.083739 0.638993 ] [ 0.800864 0.40882 0.628012 ] [ 0.695725 0.909707 0.906914 ] [ 0.694766 0.909731 0.573649 ] [ 0.195851 0.587172 0.962489 ] [ 0.108063 0.911209 0.972567 ] [ 0.30895 0.088143 0.035546 ] [ 0.878989 0.416541 0.194518 ] [ 0.809369 0.416407 0.297908 ] [ 0.619519 0.913524 0.472079 ] [ 0.809887 0.084193 0.868584 ] [ 0.805234 0.090269 0.073649 ] [ 0.810893 0.083003 0.742246 ] [ 0.39762 0.407922 0.694216 ] [ 0.891937 0.411209 0.527433 ] [ 0.305234 0.409731 0.926351 ] [ 0.801752 0.407826 0.760676 ] [ 0.190631 0.916407 0.202092 ] [ 0.390755 0.09133 0.138858 ] [ 0.310085 0.085267 0.908741 ] [ 0.19105 0.911857 0.535546 ] [ 0.190113 0.584193 0.631416 ] [ 0.304275 0.409707 0.593086 ] [ 0.30373 0.408077 0.795821 ] [ 0.189107 0.583003 0.757754 ] [ 0.199136 0.90882 0.871988 ] [ 0.890755 0.40867 0.861142 ] [ 0.60238 0.907922 0.805784 ] [ 0.195725 0.590293 0.093086 ] [ 0.391937 0.088791 0.472567 ] [ 0.809229 0.414913 0.424716 ] [ 0.109245 0.90867 0.638858 ] [ 0.609245 0.59133 0.361142 ] [ 0.189915 0.914733 0.408741 ] [ 0.621011 0.583459 0.694518 ] [ 0.608063 0.588791 0.027433 ] [ 0.309229 0.085087 0.575284 ] [ 0.689915 0.585267 0.591259 ] [ 0.121011 0.916541 0.305482 ] [ 0.80895 0.411857 0.964454 ] [ 0.804149 0.087172 0.537511 ] [ 0.695851 0.912828 0.037511 ] [ 0.804275 0.090293 0.406914 ] [ 0.380298 0.416261 0.361007 ] [ 0.198248 0.907826 0.739324 ] [ 0.380481 0.413524 0.027921 ] [ 0.698248 0.592174 0.260676 ] [ 0.69105 0.588143 0.464454 ] [ 0.119702 0.583739 0.861007 ] [ 0.690631 0.583593 0.797908 ] [ 0.190771 0.914913 0.075284 ] [ 0.89762 0.092078 0.305784 ] ] } "species" { "source-value" [ "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Ag" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "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" "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" 5.74815865 "source-unit" "angstrom" } "b" { "source-value" 12.90303198 "source-unit" "angstrom" } "c" { "source-value" 29.86567856 "source-unit" "angstrom" } }