{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-triclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P-1" } "basis-atom-coordinates" { "source-value" [ [ 0.868515 0.352212 0.195477 ] [ 0.131485 0.647788 0.804523 ] [ 0.29654 0.111365 0.071137 ] [ 0.70346 0.888635 0.928863 ] [ 0.405896 0.655974 0.189644 ] [ 0.015508 0.134807 0.679081 ] [ 0.594104 0.344026 0.810356 ] [ 0.984492 0.865193 0.320919 ] [ 0.291595 0.321703 0.714898 ] [ 0.708405 0.678297 0.285102 ] [ 0.595346 0.173812 0.945961 ] [ 0.404654 0.826188 0.054039 ] [ 0.002978 0.97707 0.816622 ] [ 0.997022 0.02293 0.183378 ] [ 0.221357 0.727683 0.327422 ] [ 0.722842 0.587808 0.889937 ] [ 0.778643 0.272317 0.672578 ] [ 0 0 0.5 ] [ 0.277158 0.412192 0.110063 ] ] } "species" { "source-value" [ "Na" "Na" "Cu" "Cu" "Si" "Si" "Si" "Si" "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" 5.24657710084 "source-unit" "angstrom" } "b" { "source-value" 6.36548666346 "source-unit" "angstrom" } "c" { "source-value" 8.35920410263 "source-unit" "angstrom" } "alpha" { "source-value" 96.6713525922 "source-unit" "degree" } "beta" { "source-value" 96.7677323493 "source-unit" "degree" } "gamma" { "source-value" 100.797323835 "source-unit" "degree" } }