{ "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" [ [ 0.197428 0.075273 0.926643 ] [ 0.05135 0.697483 0.033917 ] [ 0.361186 0.548309 0.629332 ] [ 0.042631 0.73544 0.709222 ] [ 0.492491 0.382314 0.868971 ] [ 0.57413 0.894301 0.728916 ] [ 0.848664 0.25364 0.626291 ] [ 0.234514 0.11229 0.553738 ] [ 0.765486 0.88771 0.446262 ] [ 0.151336 0.74636 0.373709 ] [ 0.42587 0.105699 0.271084 ] [ 0.507509 0.617686 0.131029 ] [ 0.957369 0.26456 0.290778 ] [ 0.638814 0.451691 0.370668 ] [ 0.94865 0.302517 0.966083 ] [ 0.802572 0.924727 0.073357 ] [ 0.270245 0.545451 0.897509 ] [ 0.549908 0.360614 0.615163 ] [ 0.5 0 0.5 ] [ 0.346799 0.867304 0.911274 ] [ 0.046225 0.013962 0.302008 ] [ 0.729755 0.454549 0.102491 ] [ 0.865998 0.491096 0.82464 ] [ 0.134002 0.508904 0.17536 ] [ 0.953775 0.986038 0.697992 ] [ 0.653201 0.132696 0.088725 ] [ 0.450092 0.639386 0.384837 ] ] } "species" { "source-value" [ "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 7.38311461 "source-unit" "angstrom" } "b" { "source-value" 9.39423551 "source-unit" "angstrom" } "c" { "source-value" 10.25785121 "source-unit" "angstrom" } "alpha" { "source-value" 96.34629205 "source-unit" "degree" } "beta" { "source-value" 94.81703891 "source-unit" "degree" } "gamma" { "source-value" 112.05667808 "source-unit" "degree" } }