{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pbnm" } "basis-atom-coordinates" { "source-value" [ [ 0.935173 0.631806 0.75 ] [ 0.435173 0.868194 0.25 ] [ 0.564827 0.131806 0.75 ] [ 0.064827 0.368194 0.25 ] [ 0.079135 0.980403 0.75 ] [ 0.579135 0.519597 0.25 ] [ 0.420865 0.480403 0.75 ] [ 0.920865 0.019597 0.25 ] [ 0.386765 0.164106 0.064149 ] [ 0.886765 0.335894 0.935851 ] [ 0.113235 0.664106 0.435851 ] [ 0.613235 0.835894 0.564149 ] [ 0.613235 0.835894 0.935851 ] [ 0.113235 0.664106 0.064149 ] [ 0.886765 0.335894 0.564149 ] [ 0.386765 0.164106 0.435851 ] ] } "species" { "source-value" [ "Sm" "Sm" "Sm" "Sm" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" "F" ] } "cauchy-stress" { "source-value" [ 0 0 0 0 0 0 ] "source-unit" "GPa" } "temperature" { "source-value" 0 "source-unit" "K" } "a" { "source-value" 4.46025394 "source-unit" "angstrom" } "b" { "source-value" 6.67913812 "source-unit" "angstrom" } "c" { "source-value" 7.10106357 "source-unit" "angstrom" } }