{ "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" [ [ 0.56647 0 0.039921 ] [ 0.526742 0 0.345334 ] [ 0.044474 0.756606 0.45562 ] [ 0.044474 0.243394 0.45562 ] [ 0.957672 0.5 0.864071 ] [ 0.994119 0 0.840579 ] [ 0.542536 0.5 0.349183 ] [ 0.481581 0.748397 0.6395 ] [ 0.481581 0.251603 0.6395 ] [ 0.048039 0.75291 0.137691 ] [ 0.048039 0.24709 0.137691 ] [ 0.825461 0.5 0.234123 ] [ 0.880373 0 0.225663 ] [ 0.828948 0.753147 0.959362 ] [ 0.828948 0.246853 0.959362 ] [ 0.661598 0.275854 0.476104 ] [ 0.661598 0.724146 0.476104 ] [ 0.685653 0 0.727503 ] [ 0.661909 0.5 0.736017 ] [ 0.305428 0.717688 0.264474 ] [ 0.305428 0.282312 0.264474 ] [ 0.303955 0.5 0.547583 ] [ 0.310982 0 0.560846 ] [ 0.184679 0 0.029885 ] [ 0.17214 0.5 0.030833 ] [ 0.160644 0.748847 0.772043 ] [ 0.160644 0.251153 0.772043 ] ] } "species" { "source-value" [ "Na" "Na" "Na" "Na" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "Ti" "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" 5.51814459 "source-unit" "angstrom" } "b" { "source-value" 6.0337339 "source-unit" "angstrom" } "c" { "source-value" 9.58328649 "source-unit" "angstrom" } "beta" { "source-value" 91.2290376 "source-unit" "degree" } }