{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbca" } "basis-atom-coordinates" { "source-value" [ [ 0.371527 0.538252 0.185856 ] [ 0.639941 0.805854 0.064489 ] [ 0.139941 0.805854 0.435511 ] [ 0.871527 0.961748 0.814144 ] [ 0.360059 0.305854 0.435511 ] [ 0.871527 0.538252 0.314144 ] [ 0.628473 0.461748 0.814144 ] [ 0.628473 0.038252 0.314144 ] [ 0.371527 0.961748 0.685856 ] [ 0.128473 0.038252 0.185856 ] [ 0.860059 0.305854 0.064489 ] [ 0.128473 0.461748 0.685856 ] [ 0.139941 0.694146 0.935511 ] [ 0.860059 0.194146 0.564489 ] [ 0.360059 0.194146 0.935511 ] [ 0.639941 0.694146 0.564489 ] [ 0.502805 0.666143 0.370982 ] [ 0.502805 0.833857 0.870982 ] [ 0.497195 0.333857 0.629018 ] [ 0.002805 0.833857 0.629018 ] [ 0.002805 0.666143 0.129018 ] [ 0.997195 0.333857 0.870982 ] [ 0.497195 0.166143 0.129018 ] [ 0.997195 0.166143 0.370982 ] ] } "species" { "source-value" [ "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Bi" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" "Pt" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.87273363 "source-unit" "angstrom" } "b" { "source-value" 6.92979008 "source-unit" "angstrom" } "c" { "source-value" 13.6190089 "source-unit" "angstrom" } }