{ "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 0.076942 0.388906 ] [ 0.75 0.923058 0.611094 ] [ 0.25 0.576942 0.111094 ] [ 0.75 0.423058 0.888906 ] [ 0.75 0.422528 0.387862 ] [ 0.25 0.577472 0.612138 ] [ 0.75 0.922528 0.112138 ] [ 0.25 0.077472 0.887862 ] [ 0.75 0.752884 0.351273 ] [ 0.25 0.247116 0.648727 ] [ 0.75 0.252884 0.148727 ] [ 0.25 0.747116 0.851273 ] [ 0.25 0.074675 0.077642 ] [ 0.75 0.925325 0.922358 ] [ 0.25 0.574675 0.422358 ] [ 0.75 0.425325 0.577642 ] [ 0.25 0.985326 0.716212 ] [ 0.75 0.014674 0.283788 ] [ 0.25 0.485326 0.783788 ] [ 0.75 0.514674 0.216212 ] [ 0.25 0.374031 0.020369 ] [ 0.75 0.625969 0.979631 ] [ 0.25 0.874031 0.479631 ] [ 0.75 0.125969 0.520369 ] [ 0.75 0.21144 0.824308 ] [ 0.25 0.78856 0.175692 ] [ 0.75 0.71144 0.675692 ] [ 0.25 0.28856 0.324308 ] ] } "species" { "source-value" [ "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Tb" "Sr" "Sr" "Sr" "Sr" "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" 3.45257079 "source-unit" "angstrom" } "b" { "source-value" 10.19995929 "source-unit" "angstrom" } "c" { "source-value" 12.06163066 "source-unit" "angstrom" } }