{ "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" [ [ 0.96879 0 0.348572 ] [ 0.655332 0.5 0.617757 ] [ 0.296288 0.744685 0.313346 ] [ 0.296288 0.255315 0.313346 ] [ 0.66002 0.248531 0.976633 ] [ 0.66002 0.751469 0.976633 ] [ 0.041358 0.749257 0.717153 ] [ 0.041358 0.250743 0.717153 ] [ 0.671016 0.750459 0.336803 ] [ 0.671016 0.249541 0.336803 ] [ 0.009681 0 0.006786 ] [ 0.991197 0.5 0.99792 ] [ 0.332015 0 0.666912 ] [ 0.329771 0.5 0.65396 ] [ 0.893439 0 0.075779 ] [ 0.873113 0.5 0.062787 ] [ 0.569049 0.246189 0.155603 ] [ 0.569049 0.753811 0.155603 ] [ 0.85517 0.764674 0.419904 ] [ 0.85517 0.235326 0.419904 ] [ 0.193753 0 0.121204 ] [ 0.173499 0.5 0.107237 ] [ 0.586186 0.732714 0.43782 ] [ 0.586186 0.267286 0.43782 ] [ 0.941972 0 0.823825 ] [ 0.926129 0.5 0.811174 ] [ 0.261345 0 0.483347 ] [ 0.258432 0.5 0.470747 ] [ 0.513417 0 0.781494 ] [ 0.514074 0.5 0.762518 ] [ 0.215168 0 0.735379 ] [ 0.21975 0.5 0.728922 ] ] } "species" { "source-value" [ "Li" "Li" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "C" "C" "C" "C" "C" "C" "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" 8.05911813 "source-unit" "angstrom" } "b" { "source-value" 6.17659878 "source-unit" "angstrom" } "c" { "source-value" 8.07282754 "source-unit" "angstrom" } "beta" { "source-value" 119.33051879 "source-unit" "degree" } }