{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.75 0.172639 0.084437 ] [ 0.25 0.503519 0.214434 ] [ 0.75 0.496481 0.785566 ] [ 0.25 0.827361 0.915563 ] [ 0.25 0.003519 0.285566 ] [ 0.25 0.327361 0.584437 ] [ 0.75 0.672639 0.415563 ] [ 0.75 0.996481 0.714434 ] [ 0.75 0.219139 0.421726 ] [ 0.75 0.719139 0.078274 ] [ 0.25 0.780861 0.578274 ] [ 0.25 0.280861 0.921726 ] [ 0.75 0.808048 0.937179 ] [ 0.974626 0.286309 0.347092 ] [ 0.25 0.991934 0.570701 ] [ 0.25 0.491934 0.929299 ] [ 0.025374 0.713691 0.652908 ] [ 0.75 0.308048 0.562821 ] [ 0.25 0.691952 0.437179 ] [ 0.025374 0.213691 0.847092 ] [ 0.474626 0.713691 0.652908 ] [ 0.525374 0.286309 0.347092 ] [ 0.525374 0.786309 0.152908 ] [ 0.75 0.008066 0.429299 ] [ 0.974626 0.786309 0.152908 ] [ 0.474626 0.213691 0.847092 ] [ 0.25 0.191952 0.062821 ] [ 0.75 0.508066 0.070701 ] ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Te" "Te" "Te" "Te" "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" 6.74712961 "source-unit" "angstrom" } "b" { "source-value" 8.73982426 "source-unit" "angstrom" } "c" { "source-value" 11.94766017 "source-unit" "angstrom" } }