{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.001672 0.006725 0.722779 ] [ 0.001672 0.493275 0.222779 ] [ 0 0.5 0.5 ] [ 0.998328 0.506725 0.777221 ] [ 0.998328 0.993275 0.277221 ] [ 0.5 0 0.5 ] [ 0.475505 0.766018 0.885426 ] [ 0.475505 0.733982 0.385426 ] [ 0.5 0.5 0 ] [ 0.524495 0.266018 0.614574 ] [ 0.524495 0.233982 0.114574 ] [ 0.504309 0.764366 0.138235 ] [ 0.504309 0.735634 0.638235 ] [ 0.495691 0.264366 0.361765 ] [ 0.495691 0.235634 0.861765 ] [ 0.006111 0.877741 0.854236 ] [ 0.993078 0.878712 0.430984 ] [ 0.504232 0.883208 0.637172 ] [ 0.497743 0.835151 0.240126 ] [ 0.511532 0.844106 0.040815 ] [ 0.511532 0.655894 0.540815 ] [ 0.497743 0.664849 0.740126 ] [ 0.504232 0.616792 0.137172 ] [ 0.993078 0.621288 0.930984 ] [ 0.006111 0.622259 0.354236 ] [ 0.993889 0.377741 0.645764 ] [ 0.006922 0.378712 0.069016 ] [ 0.495768 0.383208 0.862828 ] [ 0.502257 0.335151 0.259874 ] [ 0.488468 0.344106 0.459185 ] [ 0.488468 0.155894 0.959185 ] [ 0.502257 0.164849 0.759874 ] [ 0.495768 0.116792 0.362828 ] [ 0.006922 0.121288 0.569016 ] [ 0.993889 0.122259 0.145764 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "V" "V" "V" "V" "V" "V" "B" "B" "B" "B" "O" "O" "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" 3.01176979 "source-unit" "angstrom" } "b" { "source-value" 9.42226404 "source-unit" "angstrom" } "c" { "source-value" 12.00100624 "source-unit" "angstrom" } "beta" { "source-value" 90.14451262 "source-unit" "degree" } }