{ "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" [ [ 0.540893 0.274276 0.076418 ] [ 0.459107 0.774276 0.423582 ] [ 0.459107 0.725724 0.923582 ] [ 0.540893 0.225724 0.576418 ] [ 0.826393 0.708081 0.289264 ] [ 0.173607 0.208081 0.210736 ] [ 0.173607 0.291919 0.710736 ] [ 0.826393 0.791919 0.789264 ] [ 0.908579 0.301202 0.437973 ] [ 0.091421 0.801202 0.062027 ] [ 0.091421 0.698798 0.562027 ] [ 0.908579 0.198798 0.937973 ] [ 0.407269 0.926659 0.161169 ] [ 0.592731 0.426659 0.338831 ] [ 0.592731 0.073341 0.838831 ] [ 0.407269 0.573341 0.661169 ] [ 0.241528 0.414453 0.975653 ] [ 0.758472 0.914453 0.524347 ] [ 0.758472 0.585547 0.024347 ] [ 0.241528 0.085547 0.475653 ] [ 0.131294 0.567068 0.309798 ] [ 0.868706 0.067068 0.190202 ] [ 0.868706 0.432932 0.690202 ] [ 0.131294 0.932932 0.809798 ] ] } "species" { "source-value" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" "S" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.52039578666 "source-unit" "angstrom" } "b" { "source-value" 5.64679914 "source-unit" "angstrom" } "c" { "source-value" 7.94089229069 "source-unit" "angstrom" } "beta" { "source-value" 91.09275282 "source-unit" "degree" } }