{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-monoclinic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_1/c" } "basis-atom-coordinates" { "source-value" [ [ 0.960324 0.458699 0.723024 ] [ 0.039676 0.958699 0.776976 ] [ 0.039676 0.541301 0.276976 ] [ 0.960324 0.041301 0.223024 ] [ 0.475904 0.316759 0.134274 ] [ 0.524096 0.816759 0.365726 ] [ 0.524096 0.683241 0.865726 ] [ 0.475904 0.183241 0.634274 ] [ 0.730765 0.466895 0.988109 ] [ 0.269235 0.966895 0.511891 ] [ 0.269235 0.533105 0.011891 ] [ 0.730765 0.033105 0.488109 ] [ 0.763437 0.450138 0.376717 ] [ 0.236563 0.950138 0.123283 ] [ 0.236563 0.549862 0.623283 ] [ 0.763437 0.049862 0.876717 ] [ 0.222322 0.298203 0.294322 ] [ 0.777678 0.798203 0.205678 ] [ 0.777678 0.701797 0.705678 ] [ 0.222322 0.201797 0.794322 ] ] } "species" { "source-value" [ "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "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" 5.93334869935 "source-unit" "angstrom" } "b" { "source-value" 8.27644683 "source-unit" "angstrom" } "c" { "source-value" 7.52775044599 "source-unit" "angstrom" } "beta" { "source-value" 112.471872982 "source-unit" "degree" } }