{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cm" } "basis-atom-coordinates" { "source-value" [ [ 0.170175 0.5 0.096889 ] [ 0.007296 0 0.003708 ] [ 0.014357 0 0.515485 ] [ 0.840678 0.5 0.606673 ] [ 0.670175 0 0.096889 ] [ 0.507296 0.5 0.003708 ] [ 0.514357 0.5 0.515485 ] [ 0.340678 0 0.606673 ] [ 0.148234 0.5 0.515809 ] [ 0.834891 0.5 0.991286 ] [ 0.648234 0 0.515809 ] [ 0.334891 0 0.991286 ] [ 0.823471 0 0.771857 ] [ 0.913341 0.746135 0.28101 ] [ 0.913341 0.253865 0.28101 ] [ 0.323471 0.5 0.771857 ] [ 0.413341 0.246135 0.28101 ] [ 0.413341 0.753865 0.28101 ] [ 0.090166 0.749419 0.791468 ] [ 0.090166 0.250581 0.791468 ] [ 0.173537 0 0.292263 ] [ 0.590166 0.249419 0.791468 ] [ 0.590166 0.750581 0.791468 ] [ 0.673537 0.5 0.292263 ] [ 0.084768 0.746403 0.406189 ] [ 0.029909 0.5 0.648348 ] [ 0.185399 0.5 0.901412 ] [ 0.994063 0 0.701032 ] [ 0.000354 0 0.191039 ] [ 0.084768 0.253597 0.406189 ] [ 0.25106 0.723386 0.64695 ] [ 0.25106 0.276614 0.64695 ] [ 0.175776 0 0.911175 ] [ 0.842908 0 0.396975 ] [ 0.768772 0.723199 0.160664 ] [ 0.768772 0.276801 0.160664 ] [ 0.846131 0.5 0.409792 ] [ 0.909458 0.747317 0.907118 ] [ 0.991351 0.5 0.157093 ] [ 0.909458 0.252683 0.907118 ] [ 0.584768 0.246403 0.406189 ] [ 0.529909 0 0.648348 ] [ 0.685399 0 0.901412 ] [ 0.494063 0.5 0.701032 ] [ 0.500354 0.5 0.191039 ] [ 0.584768 0.753597 0.406189 ] [ 0.75106 0.223386 0.64695 ] [ 0.75106 0.776614 0.64695 ] [ 0.675776 0.5 0.911175 ] [ 0.342908 0.5 0.396975 ] [ 0.268772 0.223199 0.160664 ] [ 0.268772 0.776801 0.160664 ] [ 0.346131 0 0.409792 ] [ 0.409458 0.247317 0.907118 ] [ 0.491351 0 0.157093 ] [ 0.409458 0.752683 0.907118 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Ti" "Ti" "Ti" "Ti" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "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" 10.6777346 "source-unit" "angstrom" } "b" { "source-value" 6.07433335 "source-unit" "angstrom" } "c" { "source-value" 9.82833229 "source-unit" "angstrom" } "beta" { "source-value" 91.46065616 "source-unit" "degree" } }