{ "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 0.351768 0.925957 ] [ 0.75 0.648232 0.074043 ] [ 0.25 0.851768 0.574043 ] [ 0.75 0.148232 0.425957 ] [ 0.25 0.509225 0.309596 ] [ 0.75 0.490775 0.690404 ] [ 0.25 0.009225 0.190404 ] [ 0.75 0.990775 0.809596 ] [ 0.25 0.776159 0.92265 ] [ 0.75 0.223841 0.07735 ] [ 0.25 0.276159 0.57735 ] [ 0.75 0.723841 0.42265 ] [ 0.002588 0.185007 0.6477 ] [ 0.502588 0.814993 0.3523 ] [ 0.497412 0.685007 0.8523 ] [ 0.997412 0.314993 0.1477 ] [ 0.997412 0.814993 0.3523 ] [ 0.497412 0.185007 0.6477 ] [ 0.502588 0.314993 0.1477 ] [ 0.002588 0.685007 0.8523 ] [ 0.25 0.690665 0.082244 ] [ 0.75 0.309335 0.917756 ] [ 0.25 0.190665 0.417756 ] [ 0.75 0.809335 0.582244 ] [ 0.75 0.491934 0.418487 ] [ 0.25 0.508066 0.581513 ] [ 0.75 0.991934 0.081513 ] [ 0.25 0.008066 0.918487 ] ] } "species" { "source-value" [ "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Ba" "Co" "Co" "Co" "Co" "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" 5.95556534 "source-unit" "angstrom" } "b" { "source-value" 7.70055268 "source-unit" "angstrom" } "c" { "source-value" 10.6638696 "source-unit" "angstrom" } }