{ "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" [ [ 0.967771 0.75 0.484593 ] [ 0.967771 0.25 0.015407 ] [ 0.032229 0.25 0.515407 ] [ 0.032229 0.75 0.984593 ] [ 0.358843 0 0.75 ] [ 0.641157 0.5 0.25 ] [ 0.641157 0 0.25 ] [ 0.358843 0.5 0.75 ] [ 0.696937 0.75 0.584896 ] [ 0.696937 0.25 0.915104 ] [ 0.303063 0.25 0.415104 ] [ 0.303063 0.75 0.084896 ] [ 0.236946 0.75 0.385742 ] [ 0.236946 0.25 0.114258 ] [ 0.763054 0.25 0.614258 ] [ 0.763054 0.75 0.885742 ] [ 0.266887 0.75 0.792361 ] [ 0.266887 0.25 0.707639 ] [ 0.733113 0.25 0.207639 ] [ 0.733113 0.75 0.292361 ] [ 0.144488 0.473061 0.895229 ] [ 0.144488 0.526939 0.604771 ] [ 0.855512 0.973061 0.104771 ] [ 0.855512 0.026939 0.395229 ] [ 0.855512 0.526939 0.104771 ] [ 0.855512 0.473061 0.395229 ] [ 0.144488 0.026939 0.895229 ] [ 0.144488 0.973061 0.604771 ] ] } "species" { "source-value" [ "U" "U" "U" "U" "Te" "Te" "Te" "Te" "O" "O" "O" "O" "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" 5.53802688 "source-unit" "angstrom" } "b" { "source-value" 7.84815767 "source-unit" "angstrom" } "c" { "source-value" 10.41745673 "source-unit" "angstrom" } }