{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pc" } "basis-atom-coordinates" { "source-value" [ [ 0.585573 0.338657 0.833887 ] [ 0.931869 0.420635 0.413455 ] [ 0.624423 0.440574 0.107107 ] [ 0.182199 0.468346 0.69968 ] [ 0.182199 0.531654 0.19968 ] [ 0.624423 0.559426 0.607107 ] [ 0.931869 0.579365 0.913455 ] [ 0.585573 0.661343 0.333887 ] [ 0.013834 0.803854 0.406114 ] [ 0.40702 0.834289 0.663811 ] [ 0.069982 0.924261 0.095288 ] [ 0.395709 0.944165 0.390609 ] [ 0.802506 0.930109 0.782448 ] [ 0.802506 0.069891 0.282448 ] [ 0.395709 0.055835 0.890609 ] [ 0.069982 0.075739 0.595288 ] [ 0.40702 0.165711 0.163811 ] [ 0.013834 0.196146 0.906114 ] [ 0.34337 0.325328 0.445965 ] [ 0.34337 0.674672 0.945965 ] [ 0.657142 0.82936 0.0545 ] [ 0.657142 0.17064 0.5545 ] [ 0.589504 0.30635 0.379453 ] [ 0.84403 0.297646 0.675353 ] [ 0.283214 0.414489 0.967228 ] [ 0.283214 0.585511 0.467228 ] [ 0.84403 0.702354 0.175353 ] [ 0.589504 0.69365 0.879453 ] [ 0.410767 0.806301 0.121328 ] [ 0.154571 0.811995 0.83382 ] [ 0.722486 0.915074 0.522854 ] [ 0.722486 0.084926 0.022854 ] [ 0.154571 0.188005 0.33382 ] [ 0.410767 0.193699 0.621328 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "K" "Nb" "Nb" "Nb" "Nb" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" "As" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 9.46802055 "source-unit" "angstrom" } "b" { "source-value" 9.34210223 "source-unit" "angstrom" } "c" { "source-value" 12.84298941 "source-unit" "angstrom" } "beta" { "source-value" 96.30525526 "source-unit" "degree" } }