{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbnm" } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0 ] [ 0.5 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.915573 0.75 0.677622 ] [ 0.584427 0.75 0.177622 ] [ 0.415573 0.25 0.822378 ] [ 0.084427 0.25 0.322378 ] [ 0.867191 0.25 0.655965 ] [ 0.632809 0.25 0.155965 ] [ 0.367191 0.75 0.844035 ] [ 0.132809 0.75 0.344035 ] [ 0.011874 0.25 0.144059 ] [ 0.677838 0.25 0.904856 ] [ 0.734524 0.93596 0.133614 ] [ 0.734524 0.56404 0.133614 ] [ 0.765476 0.93596 0.633614 ] [ 0.765476 0.56404 0.633614 ] [ 0.822162 0.25 0.404856 ] [ 0.488126 0.25 0.644059 ] [ 0.511874 0.75 0.355941 ] [ 0.177838 0.75 0.595144 ] [ 0.265476 0.43596 0.866386 ] [ 0.265476 0.06404 0.866386 ] [ 0.234524 0.06404 0.366386 ] [ 0.234524 0.43596 0.366386 ] [ 0.988126 0.75 0.855941 ] [ 0.322162 0.75 0.095144 ] ] } "species" { "source-value" [ "Li" "Li" "Li" "Li" "Si" "Si" "Si" "Si" "Bi" "Bi" "Bi" "Bi" "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" 5.77458703 "source-unit" "angstrom" } "b" { "source-value" 7.09848764 "source-unit" "angstrom" } "c" { "source-value" 9.0587714 "source-unit" "angstrom" } }