{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pm" } "basis-atom-coordinates" { "source-value" [ [ 0.992016 0 0.003116 ] [ 0.001559 0 0.275845 ] [ 0.500198 0 0.496493 ] [ 0.494346 0.5 0.012627 ] [ 0.495154 0 0.210779 ] [ 0.999861 0 0.72181 ] [ 0.004371 0.5 0.498993 ] [ 0.756131 0.5 0.113812 ] [ 0.737549 0.5 0.611964 ] [ 0.495632 0 0.786772 ] [ 0.264467 0.5 0.380038 ] [ 0.229269 0.5 0.897828 ] [ 0.768685 0.5 0.858731 ] [ 0.736388 0.5 0.361744 ] [ 0.271265 0.5 0.632632 ] [ 0.237384 0.5 0.141858 ] [ 0.877766 0 0.145487 ] [ 0.879634 0 0.570225 ] [ 0.882708 0.5 0.365442 ] [ 0.838223 0.5 0.757913 ] [ 0.841244 0.5 0.957043 ] [ 0.658939 0.5 0.461273 ] [ 0.664745 0.5 0.261801 ] [ 0.617329 0.5 0.854101 ] [ 0.632384 0 0.073139 ] [ 0.614533 0 0.651531 ] [ 0.375404 0 0.353422 ] [ 0.374551 0 0.919994 ] [ 0.379083 0.5 0.14201 ] [ 0.348982 0.5 0.736183 ] [ 0.349072 0.5 0.537912 ] [ 0.153165 0.5 0.04253 ] [ 0.159194 0.5 0.240405 ] [ 0.126166 0.5 0.637227 ] [ 0.122558 0 0.430686 ] [ 0.120043 0 0.856636 ] ] } "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" 9.43392813 "source-unit" "angstrom" } "b" { "source-value" 2.99295924 "source-unit" "angstrom" } "c" { "source-value" 12.06467373 "source-unit" "angstrom" } "beta" { "source-value" 90.84567617 "source-unit" "degree" } }