{ "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" [ [ 0.216568 0.121964 0.254322 ] [ 0 0 0.5 ] [ 0.27758 0.625871 0.248346 ] [ 0 0.5 0 ] [ 0.506993 0.245958 0.498296 ] [ 0.493007 0.754042 0.501704 ] [ 0 0 0 ] [ 0.72242 0.374129 0.751654 ] [ 0.477432 0.259078 0.980623 ] [ 0.783432 0.878036 0.745678 ] [ 0.522568 0.740922 0.019377 ] [ 0 0.5 0.5 ] [ 0.258333 0.106609 0.754774 ] [ 0.740711 0.361014 0.245145 ] [ 0.741667 0.893391 0.245226 ] [ 0.259289 0.638986 0.754855 ] [ 0.119959 0.903094 0.692008 ] [ 0.354889 0.357563 0.783773 ] [ 0.139705 0.255203 0.592422 ] [ 0.148446 0.654732 0.589599 ] [ 0.20522 0.715725 0.069371 ] [ 0.195998 0.2144 0.069348 ] [ 0.729782 0.466803 0.568954 ] [ 0.701061 0.970989 0.55496 ] [ 0.031454 0.869686 0.211464 ] [ 0.530748 0.123227 0.697174 ] [ 0.860295 0.744797 0.407578 ] [ 0.851554 0.345268 0.410401 ] [ 0.532024 0.677646 0.69852 ] [ 0.031322 0.417869 0.210642 ] [ 0.645111 0.642437 0.216227 ] [ 0.880041 0.096906 0.307992 ] [ 0.469252 0.876773 0.302826 ] [ 0.968546 0.130314 0.788536 ] [ 0.968678 0.582131 0.789358 ] [ 0.661459 0.985402 0.086769 ] [ 0.467976 0.322354 0.30148 ] [ 0.661165 0.426375 0.086559 ] [ 0.298939 0.029011 0.44504 ] [ 0.79478 0.284275 0.930629 ] [ 0.804002 0.7856 0.930652 ] [ 0.270218 0.533197 0.431046 ] [ 0.338835 0.573625 0.913441 ] [ 0.338541 0.014598 0.913231 ] ] } "species" { "source-value" [ "Y" "Y" "Y" "Y" "Y" "Y" "Y" "Y" "Y" "Y" "Y" "Ta" "Ta" "Ta" "Ta" "Ta" "O" "O" "O" "O" "O" "O" "O" "O" "O" "O" "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" 6.45334063 "source-unit" "angstrom" } "b" { "source-value" 7.37129516 "source-unit" "angstrom" } "c" { "source-value" 13.02979013 "source-unit" "angstrom" } "alpha" { "source-value" 106.42101308 "source-unit" "degree" } "beta" { "source-value" 99.50637853 "source-unit" "degree" } "gamma" { "source-value" 90.07829288 "source-unit" "degree" } }