{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.763126 0.478383 0.217827 ] [ 0.236874 0.978383 0.282173 ] [ 0.236874 0.521617 0.782173 ] [ 0.763126 0.021617 0.717827 ] [ 0.5 0.5 0.5 ] [ 0.5 0 0 ] [ 0.736462 0.925574 0.402148 ] [ 0.263538 0.425574 0.097852 ] [ 0.263538 0.074426 0.597852 ] [ 0.736462 0.574426 0.902148 ] [ 0.528013 0.77168 0.341506 ] [ 0.471987 0.27168 0.158494 ] [ 0.471987 0.22832 0.658494 ] [ 0.528013 0.72832 0.841506 ] [ 0.928324 0.818188 0.319861 ] [ 0.071676 0.318188 0.180139 ] [ 0.071676 0.181812 0.680139 ] [ 0.928324 0.681812 0.819861 ] [ 0.742355 0.692938 0.039448 ] [ 0.257645 0.192938 0.460552 ] [ 0.718532 0.252592 0.897446 ] [ 0.281468 0.752592 0.602554 ] [ 0.281468 0.747408 0.102554 ] [ 0.718532 0.247408 0.397446 ] [ 0.742355 0.807062 0.539448 ] [ 0.257645 0.307062 0.960552 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "Ni" "Ni" "P" "P" "P" "P" "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" 6.10731334979 "source-unit" "angstrom" } "b" { "source-value" 4.77169471 "source-unit" "angstrom" } "c" { "source-value" 10.5259845133 "source-unit" "angstrom" } "beta" { "source-value" 90.2793089348 "source-unit" "degree" } }