{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnm" } "basis-atom-coordinates" { "source-value" [ [ 0.026584 0.248073 0.25 ] [ 0.973416 0.751927 0.75 ] [ 0.526584 0.751927 0.75 ] [ 0.473416 0.248073 0.25 ] [ 0.25 0.398733 0.401632 ] [ 0.75 0.601267 0.901632 ] [ 0.75 0.110956 0.112925 ] [ 0.25 0.477527 0.75 ] [ 0.25 0.889044 0.887075 ] [ 0.75 0.110956 0.387075 ] [ 0.75 0.601267 0.598368 ] [ 0.75 0.522473 0.25 ] [ 0.75 0.054444 0.75 ] [ 0.25 0.889044 0.612925 ] [ 0.25 0.945556 0.25 ] [ 0.25 0.398733 0.098368 ] ] } "species" { "source-value" [ "Tc" "Tc" "Tc" "Tc" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 6.06935452 "source-unit" "angstrom" } "b" { "source-value" 7.05460892 "source-unit" "angstrom" } "c" { "source-value" 12.21749716 "source-unit" "angstrom" } }