{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pnna" } "basis-atom-coordinates" { "source-value" [ [ 0.806806 0.75 0.75 ] [ 0.693194 0.75 0.25 ] [ 0.306806 0.25 0.75 ] [ 0.193194 0.25 0.25 ] [ 0.75 0.297821 0 ] [ 0.75 0.202179 0.5 ] [ 0.25 0.797821 0.5 ] [ 0.25 0.702179 0 ] [ 0.017987 0.050129 0.616632 ] [ 0.017987 0.449871 0.883368 ] [ 0.87928 0.070653 0.129799 ] [ 0.87928 0.429347 0.370201 ] [ 0.62072 0.429347 0.629799 ] [ 0.62072 0.070653 0.870201 ] [ 0.482013 0.449871 0.116632 ] [ 0.482013 0.050129 0.383368 ] [ 0.517987 0.949871 0.616632 ] [ 0.517987 0.550129 0.883368 ] [ 0.37928 0.929347 0.129799 ] [ 0.37928 0.570653 0.370201 ] [ 0.12072 0.570653 0.629799 ] [ 0.12072 0.929347 0.870201 ] [ 0.982013 0.550129 0.116632 ] [ 0.982013 0.949871 0.383368 ] ] } "species" { "source-value" [ "Pr" "Pr" "Pr" "Pr" "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" 5.68529205 "source-unit" "angstrom" } "b" { "source-value" 5.75566246 "source-unit" "angstrom" } "c" { "source-value" 10.98335106 "source-unit" "angstrom" } }