{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Cm" } "basis-atom-coordinates" { "source-value" [ [ 0.181091 0.5 0.100726 ] [ 0.982463 0 0.016444 ] [ 0.990207 0 0.499763 ] [ 0.832064 0.5 0.594823 ] [ 0.681091 0 0.100726 ] [ 0.482463 0.5 0.016444 ] [ 0.490207 0.5 0.499763 ] [ 0.332064 0 0.594823 ] [ 0.17541 0.5 0.500927 ] [ 0.859201 0.5 0.025673 ] [ 0.67541 0 0.500927 ] [ 0.359201 0 0.025673 ] [ 0.825521 0 0.783433 ] [ 0.917847 0.742354 0.28925 ] [ 0.917847 0.257646 0.28925 ] [ 0.325521 0.5 0.783433 ] [ 0.417847 0.242354 0.28925 ] [ 0.417847 0.757646 0.28925 ] [ 0.08471 0.747036 0.784888 ] [ 0.08471 0.252964 0.784888 ] [ 0.174766 0 0.28381 ] [ 0.58471 0.247036 0.784888 ] [ 0.58471 0.752964 0.784888 ] [ 0.674766 0.5 0.28381 ] [ 0.090483 0.735139 0.41318 ] [ 0.012724 0.5 0.656256 ] [ 0.16654 0.5 0.900177 ] [ 0.991559 0 0.687591 ] [ 0.999748 0 0.204057 ] [ 0.090483 0.264861 0.41318 ] [ 0.235309 0.715674 0.646345 ] [ 0.235309 0.284326 0.646345 ] [ 0.154649 0 0.907965 ] [ 0.818771 0 0.411373 ] [ 0.766249 0.714651 0.144678 ] [ 0.766249 0.285349 0.144678 ] [ 0.836408 0.5 0.394034 ] [ 0.911309 0.732747 0.912595 ] [ 0.987007 0.5 0.143123 ] [ 0.911309 0.267253 0.912595 ] [ 0.590483 0.235139 0.41318 ] [ 0.512724 0 0.656256 ] [ 0.66654 0 0.900177 ] [ 0.491559 0.5 0.687591 ] [ 0.499748 0.5 0.204057 ] [ 0.590483 0.764861 0.41318 ] [ 0.735309 0.215674 0.646345 ] [ 0.735309 0.784326 0.646345 ] [ 0.654649 0.5 0.907965 ] [ 0.318771 0.5 0.411373 ] [ 0.266249 0.214651 0.144678 ] [ 0.266249 0.785349 0.144678 ] [ 0.336408 0 0.394034 ] [ 0.411309 0.232747 0.912595 ] [ 0.487007 0 0.143123 ] [ 0.411309 0.767253 0.912595 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" "V" "V" "V" "V" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "O" "O" "O" "O" "O" "O" "O" "O" "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" 10.56644319 "source-unit" "angstrom" } "b" { "source-value" 6.07086022 "source-unit" "angstrom" } "c" { "source-value" 9.61041955 "source-unit" "angstrom" } "beta" { "source-value" 90.1389747 "source-unit" "degree" } }