{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2" } "basis-atom-coordinates" { "source-value" [ [ 0.813994 0.987854 0.737691 ] [ 0 0.329765 0.5 ] [ 0 0.680945 0.5 ] [ 0 0.696198 0 ] [ 0.186006 0.987854 0.262309 ] [ 0.313994 0.487854 0.737691 ] [ 0.5 0.829765 0.5 ] [ 0.5 0.180945 0.5 ] [ 0.5 0.196198 0 ] [ 0.686006 0.487854 0.262309 ] [ 0 0.323559 0 ] [ 0.5 0.823559 0 ] [ 0.825748 0.993303 0.256539 ] [ 0.174252 0.993303 0.743461 ] [ 0.325748 0.493303 0.256539 ] [ 0.674252 0.493303 0.743461 ] [ 0.694649 0.991153 0.035543 ] [ 0.698358 0.001669 0.464585 ] [ 0.02973 0.830656 0.749962 ] [ 0.044395 0.18013 0.760371 ] [ 0.97027 0.830656 0.250038 ] [ 0.955605 0.18013 0.239629 ] [ 0.301642 0.001669 0.535415 ] [ 0.305351 0.991153 0.964457 ] [ 0.194649 0.491153 0.035543 ] [ 0.198358 0.501669 0.464585 ] [ 0.52973 0.330656 0.749962 ] [ 0.544395 0.68013 0.760371 ] [ 0.47027 0.330656 0.250038 ] [ 0.455605 0.68013 0.239629 ] [ 0.801642 0.501669 0.535415 ] [ 0.805351 0.491153 0.964457 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Fe" "Fe" "Si" "Si" "Si" "Si" "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" 7.37108925 "source-unit" "angstrom" } "b" { "source-value" 7.48792438 "source-unit" "angstrom" } "c" { "source-value" 6.32003315 "source-unit" "angstrom" } "beta" { "source-value" 90.25784325 "source-unit" "degree" } }