{ "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" [ [ 0.704379 0.567917 0.960195 ] [ 0.795621 0.067917 0.539805 ] [ 0.295621 0.432083 0.039805 ] [ 0.204379 0.932083 0.460195 ] [ 0.999419 0.226124 0.184843 ] [ 0.500581 0.726124 0.315157 ] [ 0.000581 0.773876 0.815157 ] [ 0.499419 0.273876 0.684843 ] [ 0.748523 0.974548 0.225629 ] [ 0.751477 0.474548 0.274371 ] [ 0.251477 0.025452 0.774371 ] [ 0.248523 0.525452 0.725629 ] [ 0.677209 0.109669 0.978155 ] [ 0.822791 0.609669 0.521845 ] [ 0.322791 0.890331 0.021845 ] [ 0.177209 0.390331 0.478155 ] [ 0.648059 0.908967 0.757247 ] [ 0.851941 0.408967 0.742753 ] [ 0.351941 0.091033 0.242753 ] [ 0.148059 0.591033 0.257247 ] [ 0.459744 0.671154 0.636565 ] [ 0.040256 0.171154 0.863435 ] [ 0.540256 0.328846 0.363435 ] [ 0.959744 0.828846 0.136565 ] [ 0.830181 0.406596 0.193506 ] [ 0.669819 0.906596 0.306494 ] [ 0.169819 0.593404 0.806494 ] [ 0.330181 0.093404 0.693506 ] [ 0.855527 0.085056 0.288203 ] [ 0.644473 0.585056 0.211797 ] [ 0.144473 0.914944 0.711797 ] [ 0.355527 0.414944 0.788203 ] [ 0.6407 0.047027 0.102728 ] [ 0.8593 0.547027 0.397272 ] [ 0.3593 0.952973 0.897272 ] [ 0.1407 0.452973 0.602728 ] [ 0.814209 0.841771 0.162171 ] [ 0.685791 0.341771 0.337829 ] [ 0.185791 0.158229 0.837829 ] [ 0.314209 0.658229 0.662171 ] [ 0.818115 0.165456 0.019192 ] [ 0.681885 0.665456 0.480808 ] [ 0.181885 0.834544 0.980808 ] [ 0.318115 0.334544 0.519192 ] [ 0.568756 0.21198 0.905052 ] [ 0.931244 0.71198 0.594948 ] [ 0.431244 0.78802 0.094948 ] [ 0.068756 0.28802 0.405052 ] [ 0.671923 0.952692 0.903912 ] [ 0.828077 0.452692 0.596088 ] [ 0.328077 0.047308 0.096088 ] [ 0.171923 0.547308 0.403912 ] [ 0.73371 0.324935 0.758195 ] [ 0.76629 0.824935 0.741805 ] [ 0.26629 0.675065 0.241805 ] [ 0.23371 0.175065 0.258195 ] [ 0.600583 0.041757 0.673457 ] [ 0.899417 0.541757 0.826543 ] [ 0.399417 0.958243 0.326543 ] [ 0.100583 0.458243 0.173457 ] [ 0.526303 0.792292 0.746069 ] [ 0.973697 0.292292 0.753931 ] [ 0.473697 0.207708 0.253931 ] [ 0.026303 0.707708 0.246069 ] [ 0.435224 0.739542 0.507438 ] [ 0.064776 0.239542 0.992562 ] [ 0.564776 0.260458 0.492562 ] [ 0.935224 0.760458 0.007438 ] [ 0.536832 0.529138 0.67163 ] [ 0.963168 0.029138 0.82837 ] [ 0.463168 0.470862 0.32837 ] [ 0.036832 0.970862 0.17163 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "Dy" "Dy" "Dy" "Dy" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "P" "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" 10.4292015691 "source-unit" "angstrom" } "b" { "source-value" 8.98774963 "source-unit" "angstrom" } "c" { "source-value" 10.9624521724 "source-unit" "angstrom" } "beta" { "source-value" 106.429880955 "source-unit" "degree" } }