{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P1" } "basis-atom-coordinates" { "source-value" [ [ 0.856172 0.998135 0.250554 ] [ 0.679074 0.245965 0.492929 ] [ 0.746386 0.008318 0.748814 ] [ 0.640753 0.279942 0.999045 ] [ 0.343299 0.298011 0.2363 ] [ 0.367246 0.234613 0.757619 ] [ 0.25926 0.500729 0.987035 ] [ 0.257599 0.507398 0.478074 ] [ 0.35434 0.75306 0.741026 ] [ 0.351525 0.701694 0.230375 ] [ 0.649086 0.755827 0.498439 ] [ 0.642586 0.717425 0.002044 ] [ 0.13864 0.994735 0.006442 ] [ 0.162468 0.009488 0.501721 ] [ 0.818545 0.496735 0.258173 ] [ 0.84066 0.499067 0.746305 ] [ 0.152393 0.002574 0.6517 ] [ 0.907461 0.012917 0.442227 ] [ 0.161587 0.99707 0.156361 ] [ 0.875043 0.9904 0.960786 ] [ 0.317974 0.205565 0.456223 ] [ 0.269931 0.196167 0.949838 ] [ 0.693427 0.282456 0.207541 ] [ 0.699149 0.302407 0.683568 ] [ 0.838203 0.491498 0.896155 ] [ 0.099249 0.502217 0.695816 ] [ 0.822337 0.498061 0.407839 ] [ 0.07213 0.495536 0.199902 ] [ 0.706283 0.701786 0.699544 ] [ 0.702839 0.707545 0.208009 ] [ 0.29757 0.810617 0.445233 ] [ 0.276788 0.802038 0.946956 ] ] } "species" { "source-value" [ "Li" "Li" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "P" "P" "P" "P" "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" 5.60482103 "source-unit" "angstrom" } "b" { "source-value" 6.24856971 "source-unit" "angstrom" } "c" { "source-value" 10.3229524 "source-unit" "angstrom" } "alpha" { "source-value" 90.9719085 "source-unit" "degree" } "beta" { "source-value" 90.34842008 "source-unit" "degree" } "gamma" { "source-value" 91.17156667 "source-unit" "degree" } }