{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pcmb" } "basis-atom-coordinates" { "source-value" [ [ 0.448873 0.25 0.697124 ] [ 0.448873 0.75 0.802876 ] [ 0.551127 0.75 0.302876 ] [ 0.551127 0.25 0.197124 ] [ 0.667586 0.75 0.043448 ] [ 0.332414 0.75 0.543448 ] [ 0.332414 0.25 0.956552 ] [ 0.667586 0.25 0.456552 ] [ 0.613157 0.25 0.366552 ] [ 0.386843 0.25 0.866552 ] [ 0.704698 0.75 0.940494 ] [ 0.055083 0.75 0.41278 ] [ 0.944917 0.25 0.58722 ] [ 0.055083 0.25 0.08722 ] [ 0.295302 0.75 0.440494 ] [ 0.704698 0.25 0.559506 ] [ 0.944917 0.75 0.91278 ] [ 0.386843 0.75 0.633448 ] [ 0.613157 0.75 0.133448 ] [ 0.295302 0.25 0.059506 ] [ 0.898796 0.25 0.016555 ] [ 0.101204 0.75 0.983445 ] [ 0.987594 0.75 0.815597 ] [ 0.012406 0.75 0.315597 ] [ 0.012406 0.25 0.184403 ] [ 0.898796 0.75 0.483445 ] [ 0.101204 0.25 0.516555 ] [ 0.987594 0.25 0.684403 ] ] } "species" { "source-value" [ "Ag" "Ag" "Ag" "Ag" "C" "C" "C" "C" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "N" "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" 5.5742718 "source-unit" "angstrom" } "b" { "source-value" 5.78825843 "source-unit" "angstrom" } "c" { "source-value" 12.58828406 "source-unit" "angstrom" } }