{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P1" } "basis-atom-coordinates" { "source-value" [ [ 0.496966 0.696327 0.994247 ] [ 0.493418 0.533906 0.72008 ] [ 0.544841 0.133955 0.866716 ] [ 0.493314 0.950732 0.565286 ] [ 0.494076 0.841659 0.290152 ] [ 0.542258 0.413152 0.417298 ] [ 0.484661 0.245531 0.143601 ] [ 0.016707 0.715333 0.866559 ] [ 0.991831 0.357728 0.983161 ] [ 0.016143 0.998606 0.413397 ] [ 0.9969 0.173013 0.712259 ] [ 0.990765 0.887265 0.142693 ] [ 0.98389 0.527174 0.310093 ] [ 0.996918 0.602953 0.57097 ] [ 0.475379 0.039529 0.764954 ] [ 0.499187 0.334589 0.333979 ] [ 0.483943 0.893164 0.475444 ] [ 0.46519 0.450186 0.622867 ] [ 0.463434 0.752312 0.191927 ] [ 0.462 0.183638 0.048805 ] [ 0.011819 0.848214 0.951075 ] [ 0.983404 0.227104 0.8069 ] [ 0.960047 0.66131 0.667141 ] [ 0.974084 0.725664 0.766089 ] [ 0.982443 0.10303 0.521939 ] [ 0.959359 0.137691 0.62152 ] [ 0.986259 0.568459 0.481077 ] [ 0.963026 0.970104 0.234668 ] [ 0.016199 0.03431 0.332519 ] [ 0.957986 0.390842 0.092512 ] [ 0.96386 0.441395 0.192444 ] [ 0.955799 0.873488 0.049109 ] [ 0.494785 0.154502 0.950765 ] [ 0.485941 0.555287 0.810481 ] [ 0.494533 0.616342 0.91164 ] [ 0.490558 0.417957 0.523534 ] [ 0.471609 0.971994 0.665226 ] [ 0.506919 0.840547 0.372349 ] [ 0.464098 0.698938 0.092152 ] [ 0.474881 0.279556 0.23499 ] [ 0.674498 0.871961 0.934602 ] [ 0.61821 0.688095 0.658145 ] [ 0.641781 0.284849 0.795127 ] [ 0.645088 0.141641 0.512054 ] [ 0.662677 0.583478 0.360327 ] [ 0.614802 0.418473 0.084471 ] [ 0.626261 0.998711 0.221916 ] [ 0.63503 0.752175 0.77855 ] [ 0.642709 0.368163 0.925529 ] [ 0.651878 0.628477 0.498345 ] [ 0.687507 0.059563 0.348971 ] [ 0.617961 0.151633 0.632154 ] [ 0.614387 0.886029 0.060594 ] [ 0.622101 0.460726 0.200762 ] [ 0.532015 0.255466 0.999617 ] [ 0.507547 0.100465 0.711735 ] [ 0.51389 0.643525 0.859413 ] [ 0.512181 0.527194 0.573077 ] [ 0.517871 0.395774 0.280662 ] [ 0.504326 0.926086 0.423576 ] [ 0.489465 0.818354 0.139448 ] [ 0.134722 0.859907 0.497361 ] [ 0.14311 0.51847 0.794194 ] [ 0.176621 0.091162 0.940895 ] [ 0.177918 0.615366 0.928471 ] [ 0.144428 0.374932 0.51678 ] [ 0.119874 0.928066 0.652382 ] [ 0.095812 0.421292 0.63723 ] [ 0.104473 0.011997 0.769566 ] [ 0.11416 0.66218 0.079661 ] [ 0.133943 0.2254 0.217438 ] [ 0.097015 0.153277 0.063601 ] [ 0.197705 0.815623 0.351318 ] [ 0.095961 0.727326 0.202982 ] [ 0.168146 0.281237 0.348515 ] [ 0.040158 0.131727 0.850319 ] [ 0.995942 0.782447 0.001118 ] [ 0.026949 0.433017 0.437514 ] [ 0.008274 0.045893 0.573457 ] [ 0.004787 0.611938 0.71603 ] [ 0.006118 0.344017 0.141849 ] [ 0.999473 0.926144 0.281913 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Ca" "Al" "Al" "Al" "Al" "Al" "Al" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 5.05277813 "source-unit" "angstrom" } "b" { "source-value" 5.65911159 "source-unit" "angstrom" } "c" { "source-value" 34.38679615 "source-unit" "angstrom" } "alpha" { "source-value" 94.58515813 "source-unit" "degree" } "beta" { "source-value" 90.13392218 "source-unit" "degree" } "gamma" { "source-value" 90.07948302 "source-unit" "degree" } }