{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pmnb" } "basis-atom-coordinates" { "source-value" [ [ 0.25 0.679595 0.410397 ] [ 0.75 0.320405 0.589603 ] [ 0.25 0.179595 0.089603 ] [ 0.75 0.820405 0.910397 ] [ 0.75 0.75745 0.579412 ] [ 0.25 0.24255 0.420588 ] [ 0.75 0.25745 0.920588 ] [ 0.25 0.74255 0.079412 ] [ 0.75 0.975874 0.282656 ] [ 0.25 0.024126 0.717344 ] [ 0.75 0.475874 0.217344 ] [ 0.25 0.524126 0.782656 ] [ 0.25 0.02874 0.392597 ] [ 0.75 0.97126 0.607403 ] [ 0.25 0.52874 0.107403 ] [ 0.75 0.47126 0.892597 ] [ 0.75 0.721058 0.409807 ] [ 0.25 0.278942 0.590193 ] [ 0.75 0.221058 0.090193 ] [ 0.25 0.778942 0.909807 ] [ 0.506765 0.664545 0.646062 ] [ 0.006765 0.335455 0.353938 ] [ 0.993235 0.164545 0.853938 ] [ 0.493235 0.835455 0.146062 ] [ 0.493235 0.335455 0.353938 ] [ 0.993235 0.664545 0.646062 ] [ 0.006765 0.835455 0.146062 ] [ 0.506765 0.164545 0.853938 ] ] } "species" { "source-value" [ "K" "K" "K" "K" "V" "V" "V" "V" "Pb" "Pb" "Pb" "Pb" "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" 5.89470873 "source-unit" "angstrom" } "b" { "source-value" 7.86765669 "source-unit" "angstrom" } "c" { "source-value" 10.35634539 "source-unit" "angstrom" } }