{ "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" [ [ 0.340263 0.458619 0.863292 ] [ 0.340263 0.041381 0.363292 ] [ 0.659737 0.958619 0.636708 ] [ 0.659737 0.541381 0.136708 ] [ 0.123708 0.659103 0.547563 ] [ 0.123708 0.840897 0.047563 ] [ 0.876292 0.159103 0.952437 ] [ 0.876292 0.340897 0.452437 ] [ 0.04954 0.950841 0.879256 ] [ 0.04954 0.549159 0.379256 ] [ 0.95046 0.450841 0.620744 ] [ 0.95046 0.049159 0.120744 ] [ 0.151297 0.287309 0.926228 ] [ 0.151297 0.212691 0.426228 ] [ 0.417526 0.603737 0.711793 ] [ 0.30591 0.861127 0.511508 ] [ 0.69409 0.361127 0.988492 ] [ 0.582474 0.103737 0.788207 ] [ 0.417526 0.896263 0.211793 ] [ 0.30591 0.638873 0.011508 ] [ 0.69409 0.138873 0.488492 ] [ 0.582474 0.396263 0.288207 ] [ 0.848703 0.787309 0.573772 ] [ 0.848703 0.712691 0.073772 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "V" "V" "V" "V" "O" "O" "O" "O" "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" 5.2651421 "source-unit" "angstrom" } "b" { "source-value" 7.84581091 "source-unit" "angstrom" } "c" { "source-value" 9.167544 "source-unit" "angstrom" } "beta" { "source-value" 107.07019164 "source-unit" "degree" } }