{ "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" [ [ 0.7494 0.088117 0.73695 ] [ 0.771819 0.916596 0.263319 ] [ 0.2506 0.088117 0.26305 ] [ 0.228181 0.916596 0.736681 ] [ 0 0.07877 0.5 ] [ 0.2494 0.588117 0.73695 ] [ 0.271819 0.416596 0.263319 ] [ 0.7506 0.588117 0.26305 ] [ 0.728181 0.416596 0.736681 ] [ 0.5 0.57877 0.5 ] [ 0 0.576978 0 ] [ 0 0.425353 0.5 ] [ 0 0.915962 0 ] [ 0.758901 0.244493 0.259737 ] [ 0.241099 0.244493 0.740263 ] [ 0.5 0.076978 0 ] [ 0.5 0.925353 0.5 ] [ 0.5 0.415962 0 ] [ 0.258901 0.744493 0.259737 ] [ 0.741099 0.744493 0.740263 ] [ 0 0.7534 0.5 ] [ 0 0.246289 0 ] [ 0.5 0.2534 0.5 ] [ 0.5 0.746289 0 ] [ 0.142093 0.913068 0.379242 ] [ 0.857907 0.913068 0.620758 ] [ 0.103713 0.746137 0.878057 ] [ 0.896287 0.746137 0.121943 ] [ 0.62513 0.090518 0.374712 ] [ 0.37487 0.090518 0.625288 ] [ 0.640643 0.91088 0.882869 ] [ 0.359357 0.91088 0.117131 ] [ 0.108318 0.260817 0.372088 ] [ 0.891682 0.260817 0.627912 ] [ 0.135544 0.080997 0.88261 ] [ 0.864456 0.080997 0.11739 ] [ 0.642093 0.413068 0.379242 ] [ 0.357907 0.413068 0.620758 ] [ 0.603713 0.246137 0.878057 ] [ 0.396287 0.246137 0.121943 ] [ 0.12513 0.590518 0.374712 ] [ 0.87487 0.590518 0.625288 ] [ 0.140643 0.41088 0.882869 ] [ 0.859357 0.41088 0.117131 ] [ 0.608318 0.760817 0.372088 ] [ 0.391682 0.760817 0.627912 ] [ 0.635544 0.580997 0.88261 ] [ 0.364456 0.580997 0.11739 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "V" "V" "V" "V" "V" "V" "V" "V" "V" "V" "Ni" "Ni" "Ni" "Ni" "O" "O" "O" "O" "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" 5.1852141 "source-unit" "angstrom" } "b" { "source-value" 8.94648011 "source-unit" "angstrom" } "c" { "source-value" 9.89492641 "source-unit" "angstrom" } "beta" { "source-value" 99.73965702 "source-unit" "degree" } }