{ "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" [ [ 0.753498 0 0.269831 ] [ 0.379549 0 0.128395 ] [ 0.374613 0 0.62339 ] [ 0.253498 0.5 0.269831 ] [ 0.879549 0.5 0.128395 ] [ 0.874613 0.5 0.62339 ] [ 0.993981 0 0.988862 ] [ 0.131305 0.253964 0.618814 ] [ 0.131305 0.746036 0.618814 ] [ 0.493981 0.5 0.988862 ] [ 0.631305 0.753964 0.618814 ] [ 0.631305 0.246036 0.618814 ] [ 0.615544 0 0.394972 ] [ 0.863175 0.239298 0.863394 ] [ 0.863175 0.760702 0.863394 ] [ 0.11875 0 0.85039 ] [ 0.123201 0 0.375217 ] [ 0.115544 0.5 0.394972 ] [ 0.363175 0.739298 0.863394 ] [ 0.363175 0.260702 0.863394 ] [ 0.61875 0.5 0.85039 ] [ 0.623201 0.5 0.375217 ] [ 0.620377 0 0.863163 ] [ 0.890764 0.261483 0.395683 ] [ 0.890764 0.738517 0.395683 ] [ 0.120377 0.5 0.863163 ] [ 0.390764 0.761483 0.395683 ] [ 0.390764 0.238517 0.395683 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "V" "V" "V" "V" "V" "V" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 10.29303043 "source-unit" "angstrom" } "b" { "source-value" 6.05972726 "source-unit" "angstrom" } "c" { "source-value" 5.8599929 "source-unit" "angstrom" } "beta" { "source-value" 124.52876141 "source-unit" "degree" } }