{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P1" } "basis-atom-coordinates" { "source-value" [ [ 0.250452 0.70238 0.003869 ] [ 0.759517 0.296871 0.000227 ] [ 0.760851 0.790346 0.497009 ] [ 0.253802 0.200433 0.501294 ] [ 0.714976 0.82338 0.169371 ] [ 0.233723 0.176933 0.170539 ] [ 0.228659 0.682438 0.330045 ] [ 0.746681 0.322074 0.338822 ] [ 0.268219 0.675301 0.667904 ] [ 0.783089 0.303786 0.664255 ] [ 0.766084 0.821983 0.832897 ] [ 0.282153 0.192889 0.836991 ] [ 0.397878 0.874702 0.239923 ] [ 0.031552 0.416856 0.401668 ] [ 0.897487 0.101091 0.58339 ] [ 0.397366 0.392461 0.918228 ] [ 0.103441 0.39024 0.085627 ] [ 0.606114 0.614422 0.083457 ] [ 0.023053 0.927333 0.096304 ] [ 0.532035 0.090617 0.095678 ] [ 0.901558 0.130899 0.242823 ] [ 0.394542 0.374746 0.253206 ] [ 0.902186 0.634636 0.253976 ] [ 0.533455 0.584777 0.39813 ] [ 0.106174 0.890578 0.414911 ] [ 0.601455 0.106536 0.41704 ] [ 0.398514 0.874367 0.582074 ] [ 0.966295 0.582365 0.599671 ] [ 0.465273 0.411688 0.601685 ] [ 0.584108 0.640837 0.746809 ] [ 0.103053 0.372843 0.742363 ] [ 0.083762 0.856502 0.753909 ] [ 0.601689 0.12374 0.758367 ] [ 0.463345 0.912634 0.902083 ] [ 0.960461 0.086243 0.897726 ] [ 0.896996 0.620071 0.91773 ] ] } "species" { "source-value" [ "Y" "Y" "Y" "Y" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "N" "N" "N" "N" "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" 5.28814266 "source-unit" "angstrom" } "b" { "source-value" 5.93516134 "source-unit" "angstrom" } "c" { "source-value" 15.00866285 "source-unit" "angstrom" } "alpha" { "source-value" 89.70719602 "source-unit" "degree" } "beta" { "source-value" 89.77478791 "source-unit" "degree" } "gamma" { "source-value" 89.75509022 "source-unit" "degree" } }