{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pm" } "basis-atom-coordinates" { "source-value" [ [ 0.327481 0 0.823678 ] [ 0.827553 0 0.824274 ] [ 0.15697 0.5 0.17914 ] [ 0.301758 0.5 0.166288 ] [ 0.673229 0.5 0.175754 ] [ 0.298453 0.5 0.97433 ] [ 0.068796 0 0.909155 ] [ 0.456154 0.5 0.939763 ] [ 0.797775 0.5 0.974728 ] [ 0.569526 0 0.909668 ] [ 0.956413 0.5 0.941336 ] [ 0.086237 0.5 0.715166 ] [ 0.474471 0 0.746253 ] [ 0.244007 0.5 0.682604 ] [ 0.586243 0.5 0.714994 ] [ 0.338052 0 0.631863 ] [ 0.109096 0.5 0.570179 ] [ 0.974273 0 0.745862 ] [ 0.744004 0.5 0.682682 ] [ 0.492681 0 0.592308 ] [ 0.837998 0 0.631876 ] [ 0.608531 0.5 0.56964 ] [ 0.007104 0.5 0.407516 ] [ 0.993214 0 0.592781 ] [ 0.390164 0 0.429324 ] [ 0.161522 0.5 0.367412 ] [ 0.506857 0.5 0.406632 ] [ 0.255933 0 0.316103 ] [ 0.023456 0.5 0.253942 ] [ 0.89105 0 0.430112 ] [ 0.661907 0.5 0.368207 ] [ 0.417382 0 0.287639 ] [ 0.755775 0 0.317383 ] [ 0.526273 0.5 0.253125 ] [ 0.913025 0 0.28475 ] [ 0.043136 0 0.058856 ] [ 0.433998 0.5 0.088502 ] [ 0.202009 0 0.024471 ] [ 0.545188 0 0.058871 ] [ 0.9305 0.5 0.089543 ] [ 0.702728 0 0.025158 ] [ 0.285855 0 0.994358 ] [ 0.04537 0.5 0.919815 ] [ 0.389944 0.5 0.989843 ] [ 0.146381 0 0.906083 ] [ 0.477417 0 0.955978 ] [ 0.276205 0.5 0.898633 ] [ 0.021051 0 0.827133 ] [ 0.78699 0 0.995503 ] [ 0.545677 0.5 0.91928 ] [ 0.889769 0.5 0.992148 ] [ 0.401111 0.5 0.870544 ] [ 0.136928 0.5 0.784165 ] [ 0.646115 0 0.904624 ] [ 0.978041 0 0.957393 ] [ 0.776508 0.5 0.899027 ] [ 0.520262 0 0.82691 ] [ 0.268723 0.5 0.75893 ] [ 0.061398 0 0.698357 ] [ 0.396118 0 0.749758 ] [ 0.900898 0.5 0.872201 ] [ 0.149927 0.5 0.666562 ] [ 0.636858 0.5 0.784007 ] [ 0.496581 0.5 0.734551 ] [ 0.015756 0.5 0.609153 ] [ 0.252178 0 0.663896 ] [ 0.326678 0.5 0.654844 ] [ 0.768722 0.5 0.75894 ] [ 0.561309 0 0.698378 ] [ 0.083204 0 0.574204 ] [ 0.428933 0 0.64451 ] [ 0.896236 0 0.750294 ] [ 0.186375 0.5 0.565701 ] [ 0.649812 0.5 0.666374 ] [ 0.996774 0.5 0.734838 ] [ 0.30943 0 0.557695 ] [ 0.516007 0.5 0.608955 ] [ 0.752098 0 0.663766 ] [ 0.059493 0.5 0.480913 ] [ 0.826688 0.5 0.654794 ] [ 0.583356 0 0.574066 ] [ 0.929002 0 0.644816 ] [ 0.440413 0 0.518884 ] [ 0.190752 0.5 0.441741 ] [ 0.685753 0.5 0.565467 ] [ 0.313663 0 0.435212 ] [ 0.809652 0 0.557682 ] [ 0.559104 0.5 0.481064 ] [ 0.070675 0.5 0.356562 ] [ 0.415782 0.5 0.42608 ] [ 0.173526 0 0.344902 ] [ 0.940521 0 0.519432 ] [ 0.246834 0.5 0.334479 ] [ 0.481105 0 0.388494 ] [ 0.690373 0.5 0.442467 ] [ 0.00221 0 0.265775 ] [ 0.348993 0 0.334669 ] [ 0.813737 0 0.434449 ] [ 0.103004 0.5 0.25323 ] [ 0.571523 0.5 0.354882 ] [ 0.916739 0.5 0.425877 ] [ 0.439553 0.5 0.303005 ] [ 0.232756 0 0.238482 ] [ 0.673404 0 0.345136 ] [ 0.747973 0.5 0.336143 ] [ 0.984416 0 0.391347 ] [ 0.504753 0 0.264989 ] [ 0.362764 0 0.217495 ] [ 0.850083 0 0.333595 ] [ 0.098939 0 0.128281 ] [ 0.60426 0.5 0.248961 ] [ 0.938559 0.5 0.301177 ] [ 0.731254 0 0.241091 ] [ 0.479418 0.5 0.172393 ] [ 0.227936 0 0.101625 ] [ 0.022306 0.5 0.042729 ] [ 0.355131 0.5 0.091268 ] [ 0.862458 0 0.215666 ] [ 0.600481 0 0.128043 ] [ 0.111674 0 0.009215 ] [ 0.456622 0 0.080451 ] [ 0.213679 0.5 0.005291 ] [ 0.980449 0.5 0.173404 ] [ 0.724052 0 0.100877 ] [ 0.521849 0.5 0.042948 ] [ 0.85409 0.5 0.095341 ] [ 0.610713 0 0.007688 ] [ 0.95482 0 0.081064 ] [ 0.713496 0.5 0.004426 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Na" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "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" "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" 20.69595433 "source-unit" "angstrom" } "b" { "source-value" 3.67549554 "source-unit" "angstrom" } "c" { "source-value" 22.23769727 "source-unit" "angstrom" } "beta" { "source-value" 105.81535474 "source-unit" "degree" } }