{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_12_12_1" } "basis-atom-coordinates" { "source-value" [ [ 0.524363 0.104334 0.955714 ] [ 0.024363 0.395666 0.044286 ] [ 0.475637 0.604334 0.544286 ] [ 0.975637 0.895666 0.455714 ] [ 0.529575 0.217372 0.359002 ] [ 0.029575 0.282628 0.640998 ] [ 0.470425 0.717372 0.140998 ] [ 0.970425 0.782628 0.859002 ] [ 0.460584 0.995978 0.640796 ] [ 0.960584 0.504022 0.359204 ] [ 0.539416 0.495978 0.859204 ] [ 0.039416 0.004022 0.140796 ] [ 0.300667 0.137448 0.175174 ] [ 0.800667 0.362552 0.824826 ] [ 0.699333 0.637448 0.324826 ] [ 0.199333 0.862552 0.675174 ] [ 0.719144 0.11221 0.564217 ] [ 0.219144 0.38779 0.435783 ] [ 0.280856 0.61221 0.935783 ] [ 0.780856 0.88779 0.064217 ] [ 0.677882 0.635309 0.746737 ] [ 0.177882 0.864691 0.253263 ] [ 0.322118 0.135309 0.753263 ] [ 0.822118 0.364691 0.246737 ] [ 0.668564 0.947682 0.782269 ] [ 0.168564 0.552318 0.217731 ] [ 0.331436 0.447682 0.717731 ] [ 0.831436 0.052318 0.282269 ] [ 0.255054 0.084116 0.508068 ] [ 0.755054 0.415884 0.491932 ] [ 0.744946 0.584116 0.991932 ] [ 0.244946 0.915884 0.008068 ] [ 0.073745 0.648556 0.476796 ] [ 0.573745 0.851444 0.523204 ] [ 0.926255 0.148556 0.023204 ] [ 0.426255 0.351444 0.976796 ] ] } "species" { "source-value" [ "La" "La" "La" "La" "La" "La" "La" "La" "Te" "Te" "Te" "Te" "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" 5.55507312 "source-unit" "angstrom" } "b" { "source-value" 9.54754994 "source-unit" "angstrom" } "c" { "source-value" 10.48410032 "source-unit" "angstrom" } }