{ "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" [ [ 0.36564 0.62594 0.942508 ] [ 0.86564 0.87406 0.942508 ] [ 0.125397 0.115089 0.557512 ] [ 0.625397 0.384911 0.557512 ] [ 0.374603 0.615089 0.442488 ] [ 0.874603 0.884911 0.442488 ] [ 0.13436 0.12594 0.057492 ] [ 0.63436 0.37406 0.057492 ] [ 0.273243 0.376033 0.761008 ] [ 0.255573 0.874173 0.741614 ] [ 0.773243 0.123967 0.761008 ] [ 0.755573 0.625827 0.741614 ] [ 0.244427 0.374173 0.258386 ] [ 0.226757 0.876033 0.238992 ] [ 0.744427 0.125827 0.258386 ] [ 0.726757 0.623967 0.238992 ] [ 0.141309 0.369742 0.99555 ] [ 0.641309 0.130258 0.99555 ] [ 0.307911 0.118827 0.831795 ] [ 0.807911 0.381173 0.831795 ] [ 0.206479 0.627681 0.666823 ] [ 0.706479 0.872319 0.666823 ] [ 0.153648 0.386859 0.490994 ] [ 0.346352 0.886859 0.509006 ] [ 0.653648 0.113141 0.490994 ] [ 0.846352 0.613141 0.509006 ] [ 0.293521 0.127681 0.333177 ] [ 0.793521 0.372319 0.333177 ] [ 0.192089 0.618827 0.168205 ] [ 0.692089 0.881173 0.168205 ] [ 0.358691 0.869742 0.00445 ] [ 0.858691 0.630258 0.00445 ] [ 0.319841 0.393124 0.933892 ] [ 0.384556 0.109561 0.947915 ] [ 0.311127 0.821155 0.898967 ] [ 0.819841 0.106876 0.933892 ] [ 0.884556 0.390439 0.947915 ] [ 0.811127 0.678845 0.898967 ] [ 0.113291 0.047377 0.778893 ] [ 0.107882 0.556175 0.74286 ] [ 0.435253 0.19636 0.772116 ] [ 0.613291 0.452623 0.778893 ] [ 0.409158 0.701346 0.704313 ] [ 0.607882 0.943825 0.74286 ] [ 0.935253 0.30364 0.772116 ] [ 0.909158 0.798654 0.704313 ] [ 0.246398 0.352741 0.598668 ] [ 0.106311 0.62863 0.550862 ] [ 0.192871 0.928154 0.577894 ] [ 0.746398 0.147259 0.598668 ] [ 0.606311 0.87137 0.550862 ] [ 0.692871 0.571846 0.577894 ] [ 0.307129 0.428154 0.422106 ] [ 0.393689 0.12863 0.449138 ] [ 0.253602 0.852741 0.401332 ] [ 0.807129 0.071846 0.422106 ] [ 0.893689 0.37137 0.449138 ] [ 0.753602 0.647259 0.401332 ] [ 0.090842 0.201346 0.295687 ] [ 0.064747 0.69636 0.227884 ] [ 0.392118 0.056175 0.25714 ] [ 0.590842 0.298654 0.295687 ] [ 0.386709 0.547377 0.221107 ] [ 0.564747 0.80364 0.227884 ] [ 0.892118 0.443825 0.25714 ] [ 0.886709 0.952623 0.221107 ] [ 0.188873 0.321155 0.101033 ] [ 0.115444 0.609561 0.052085 ] [ 0.180159 0.893124 0.066108 ] [ 0.688873 0.178845 0.101033 ] [ 0.615444 0.890439 0.052085 ] [ 0.680159 0.606876 0.066108 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "V" "V" "V" "V" "V" "V" "V" "V" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "B" "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" 5.48049529 "source-unit" "angstrom" } "b" { "source-value" 10.84900651 "source-unit" "angstrom" } "c" { "source-value" 12.09229869 "source-unit" "angstrom" } "beta" { "source-value" 100.85567982 "source-unit" "degree" } }