{ "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" [ [ 0.16058 0.5 0.894687 ] [ 0.995071 0 0.992632 ] [ 0.002515 0 0.496274 ] [ 0.83241 0.5 0.394586 ] [ 0.66058 0 0.894687 ] [ 0.495071 0.5 0.992632 ] [ 0.502515 0.5 0.496274 ] [ 0.33241 0 0.394586 ] [ 0.172051 0.5 0.497039 ] [ 0.831748 0.5 0.994288 ] [ 0.672051 0 0.497039 ] [ 0.331748 0 0.994288 ] [ 0.087351 0.255482 0.215716 ] [ 0.087351 0.744518 0.215716 ] [ 0.172735 0 0.717779 ] [ 0.587351 0.755482 0.215716 ] [ 0.587351 0.244518 0.215716 ] [ 0.672735 0.5 0.717779 ] [ 0.829996 0 0.213049 ] [ 0.915084 0.25368 0.71415 ] [ 0.915084 0.74632 0.71415 ] [ 0.329996 0.5 0.213049 ] [ 0.415084 0.75368 0.71415 ] [ 0.415084 0.24632 0.71415 ] [ 0.093749 0.249317 0.595267 ] [ 0.019277 0.5 0.332795 ] [ 0.156761 0.5 0.106367 ] [ 0.007679 0 0.307597 ] [ 0.00555 0 0.804182 ] [ 0.093749 0.750683 0.595267 ] [ 0.233808 0.272747 0.342352 ] [ 0.233808 0.727253 0.342352 ] [ 0.163291 0 0.102651 ] [ 0.840016 0 0.595365 ] [ 0.751242 0.282372 0.844935 ] [ 0.751242 0.717628 0.844935 ] [ 0.829814 0.5 0.613277 ] [ 0.922322 0.257048 0.091641 ] [ 0.97526 0.5 0.837208 ] [ 0.922322 0.742952 0.091641 ] [ 0.593749 0.749317 0.595267 ] [ 0.519277 0 0.332795 ] [ 0.656761 0 0.106367 ] [ 0.507679 0.5 0.307597 ] [ 0.50555 0.5 0.804182 ] [ 0.593749 0.250683 0.595267 ] [ 0.733808 0.772747 0.342352 ] [ 0.733808 0.227253 0.342352 ] [ 0.663291 0.5 0.102651 ] [ 0.340016 0.5 0.595365 ] [ 0.251242 0.782372 0.844935 ] [ 0.251242 0.217628 0.844935 ] [ 0.329814 0 0.613277 ] [ 0.422322 0.757048 0.091641 ] [ 0.47526 0 0.837208 ] [ 0.422322 0.242952 0.091641 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Ti" "Ti" "Ti" "Ti" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "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" 10.22537062 "source-unit" "angstrom" } "b" { "source-value" 5.76947956 "source-unit" "angstrom" } "c" { "source-value" 9.46772318 "source-unit" "angstrom" } "beta" { "source-value" 92.11505468 "source-unit" "degree" } }