{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1" } "basis-atom-coordinates" { "source-value" [ [ 0.661376 0.507242 0.125684 ] [ 0.338624 0.007242 0.874316 ] [ 0.50746 0.734496 0.49992 ] [ 0.49254 0.234496 0.50008 ] [ 0.989146 0.873648 0.443482 ] [ 0.972777 0.097275 0.447044 ] [ 0.860221 0.675804 0.892198 ] [ 0.783166 0.320463 0.888142 ] [ 0.216834 0.820463 0.111858 ] [ 0.010854 0.373648 0.556518 ] [ 0.027223 0.597275 0.552956 ] [ 0.139779 0.175804 0.107802 ] [ 0.624973 0.246351 0.76982 ] [ 0.968419 0.109738 0.229426 ] [ 0.004367 0.362535 0.772938 ] [ 0.941672 0.486167 0.514409 ] [ 0.817541 0.617888 0.054956 ] [ 0.81644 0.655093 0.445547 ] [ 0.798134 0.318285 0.444666 ] [ 0.719365 0.857327 0.481799 ] [ 0.704254 0.110024 0.490515 ] [ 0.633068 0.71743 0.768385 ] [ 0.953505 0.266659 0.05507 ] [ 0.652931 0.402726 0.967108 ] [ 0.347069 0.902726 0.032892 ] [ 0.375027 0.746351 0.23018 ] [ 0.366932 0.21743 0.231615 ] [ 0.295746 0.610024 0.509485 ] [ 0.046495 0.766659 0.94493 ] [ 0.201866 0.818285 0.555334 ] [ 0.18356 0.155093 0.554453 ] [ 0.182459 0.117888 0.945044 ] [ 0.058328 0.986167 0.485591 ] [ 0.995633 0.862535 0.227062 ] [ 0.031581 0.609738 0.770574 ] [ 0.280635 0.357327 0.518201 ] ] } "species" { "source-value" [ "Li" "Li" "V" "V" "P" "P" "P" "P" "P" "P" "P" "P" "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" 5.28714068107 "source-unit" "angstrom" } "b" { "source-value" 13.73286787 "source-unit" "angstrom" } "c" { "source-value" 7.33950434243 "source-unit" "angstrom" } "beta" { "source-value" 98.007748831 "source-unit" "degree" } }