{ "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" [ [ 0.446857 0.315808 0.677905 ] [ 0.553143 0.684192 0.322095 ] [ 0.206035 0.529935 0.086523 ] [ 0.793965 0.470065 0.913477 ] [ 0 0 0 ] [ 0.624733 0.784313 0.962095 ] [ 0.912776 0.924439 0.349709 ] [ 0.087224 0.075561 0.650291 ] [ 0.311096 0.64294 0.678922 ] [ 0.688904 0.35706 0.321078 ] [ 0.375267 0.215687 0.037905 ] [ 0.90058 0.641176 0.957629 ] [ 0.574247 0.577572 0.576796 ] [ 0.261901 0.14581 0.923388 ] [ 0.978162 0.036106 0.174491 ] [ 0.09942 0.358824 0.042371 ] [ 0.425753 0.422428 0.423204 ] [ 0.870384 0.509589 0.269081 ] [ 0.374797 0.696245 0.094661 ] [ 0.738099 0.85419 0.076612 ] [ 0.483702 0.619192 0.82492 ] [ 0.432292 0.106278 0.637387 ] [ 0.516298 0.380808 0.17508 ] [ 0.928568 0.253199 0.635452 ] [ 0.567708 0.893722 0.362613 ] [ 0.071432 0.746801 0.364548 ] [ 0.021838 0.963894 0.825509 ] [ 0.129616 0.490411 0.730919 ] [ 0.625203 0.303755 0.905339 ] ] } "species" { "source-value" [ "Tl" "Tl" "Cu" "Cu" "Cu" "Se" "Se" "Se" "Se" "Se" "Se" "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" 4.85234112768 "source-unit" "angstrom" } "b" { "source-value" 9.82928321554 "source-unit" "angstrom" } "c" { "source-value" 10.2116130383 "source-unit" "angstrom" } "alpha" { "source-value" 67.8627511487 "source-unit" "degree" } "beta" { "source-value" 82.1323870122 "source-unit" "degree" } "gamma" { "source-value" 79.4768706582 "source-unit" "degree" } }