{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "C2/m" } "basis-atom-coordinates" { "source-value" [ [ 0.07995 0.5 0.634769 ] [ 0.92005 0.5 0.365231 ] [ 0.57995 0 0.634769 ] [ 0.42005 0 0.365231 ] [ 0.145056 0.5 0.9956 ] [ 0.219752 0.5 0.382273 ] [ 0.780248 0.5 0.617727 ] [ 0.854944 0.5 0.0044 ] [ 0.645056 0 0.9956 ] [ 0.719752 0 0.382273 ] [ 0.280248 0 0.617727 ] [ 0.354944 0 0.0044 ] [ 0.763711 0 0.585631 ] [ 0.817976 0 0.99231 ] [ 0.182024 0 0.00769 ] [ 0.236289 0 0.414369 ] [ 0 0.5 0 ] [ 0.263711 0.5 0.585631 ] [ 0.317976 0.5 0.99231 ] [ 0.682024 0.5 0.00769 ] [ 0.736289 0.5 0.414369 ] [ 0.5 0 0 ] [ 0.119001 0.5 0.816709 ] [ 0.072567 0.5 0.402001 ] [ 0.12589 0 0.623403 ] [ 0.180129 0.5 0.200448 ] [ 0.819871 0.5 0.799552 ] [ 0.87411 0 0.376597 ] [ 0.927433 0.5 0.597999 ] [ 0.880999 0.5 0.183291 ] [ 0.619001 0 0.816709 ] [ 0.572567 0 0.402001 ] [ 0.62589 0.5 0.623403 ] [ 0.680129 0 0.200448 ] [ 0.319871 0 0.799552 ] [ 0.37411 0.5 0.376597 ] [ 0.427433 0 0.597999 ] [ 0.380999 0 0.183291 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "V" "V" "V" "V" "V" "V" "V" "V" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "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" 12.41760676 "source-unit" "angstrom" } "b" { "source-value" 3.69587184 "source-unit" "angstrom" } "c" { "source-value" 10.57628248 "source-unit" "angstrom" } "beta" { "source-value" 100.874263 "source-unit" "degree" } }