{ "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" [ [ 0.395515 0.869111 0.85907 ] [ 0.404813 0.376961 0.862291 ] [ 0.595187 0.876961 0.637709 ] [ 0.604485 0.369111 0.64093 ] [ 0.395515 0.630889 0.35907 ] [ 0.404813 0.123039 0.362291 ] [ 0.595187 0.623039 0.137709 ] [ 0.604485 0.130889 0.14093 ] [ 0.004354 0.126921 0.751469 ] [ 0.223236 0.114788 0.559499 ] [ 0.239671 0.61914 0.571475 ] [ 0.004354 0.373079 0.251469 ] [ 0.760329 0.11914 0.928525 ] [ 0.776764 0.614788 0.940501 ] [ 0.223236 0.385212 0.059499 ] [ 0.239671 0.88086 0.071475 ] [ 0.995646 0.626921 0.748531 ] [ 0.760329 0.38086 0.428525 ] [ 0.776764 0.885212 0.440501 ] [ 0.995646 0.873079 0.248531 ] [ 0.069359 0.566382 0.925116 ] [ 0.083086 0.19173 0.925719 ] [ 0.040669 0.876149 0.814411 ] [ 0.227593 0.613466 0.792141 ] [ 0.238472 0.133461 0.794815 ] [ 0.069359 0.933618 0.425116 ] [ 0.083086 0.30827 0.425719 ] [ 0.040669 0.623851 0.314411 ] [ 0.327027 0.84452 0.6703 ] [ 0.362529 0.412442 0.677268 ] [ 0.582641 0.140524 0.966299 ] [ 0.582336 0.611913 0.958098 ] [ 0.417664 0.111913 0.541902 ] [ 0.417359 0.640524 0.533701 ] [ 0.227593 0.886534 0.292141 ] [ 0.637471 0.912442 0.822732 ] [ 0.238472 0.366539 0.294815 ] [ 0.672973 0.34452 0.8297 ] [ 0.327027 0.65548 0.1703 ] [ 0.761528 0.633461 0.705185 ] [ 0.362529 0.087558 0.177268 ] [ 0.772407 0.113466 0.707859 ] [ 0.582641 0.359476 0.466299 ] [ 0.582336 0.888087 0.458098 ] [ 0.417664 0.388087 0.041902 ] [ 0.417359 0.859476 0.033701 ] [ 0.637471 0.587558 0.322732 ] [ 0.672973 0.15548 0.3297 ] [ 0.959331 0.376149 0.685589 ] [ 0.916914 0.69173 0.574281 ] [ 0.930641 0.066382 0.574884 ] [ 0.761528 0.866539 0.205185 ] [ 0.772407 0.386534 0.207859 ] [ 0.959331 0.123851 0.185589 ] [ 0.916914 0.80827 0.074281 ] [ 0.930641 0.433618 0.074884 ] ] } "species" { "source-value" [ "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Mg" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "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" 9.18411539 "source-unit" "angstrom" } "b" { "source-value" 7.25875756 "source-unit" "angstrom" } "c" { "source-value" 12.5930416 "source-unit" "angstrom" } "beta" { "source-value" 121.94867922 "source-unit" "degree" } }