{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "Pcmn" } "basis-atom-coordinates" { "source-value" [ [ 0.511481 0.25 0.224603 ] [ 0.988519 0.25 0.724603 ] [ 0.488519 0.75 0.775397 ] [ 0.011481 0.75 0.275397 ] [ 0 0.5 0 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0.5 ] [ 0 0 0 ] [ 0.078818 0.25 0.41919 ] [ 0.421182 0.25 0.91919 ] [ 0.578818 0.75 0.08081 ] [ 0.921182 0.75 0.58081 ] [ 0.264081 0.468046 0.851816 ] [ 0.764081 0.531954 0.648184 ] [ 0.75615 0.75 0.942892 ] [ 0.235919 0.031954 0.351816 ] [ 0.235919 0.468046 0.351816 ] [ 0.730586 0.25 0.420188 ] [ 0.764081 0.968046 0.648184 ] [ 0.230586 0.75 0.079812 ] [ 0.74385 0.75 0.442892 ] [ 0.264081 0.031954 0.851816 ] [ 0.735919 0.531954 0.148184 ] [ 0.269414 0.75 0.579812 ] [ 0.769414 0.25 0.920188 ] [ 0.735919 0.968046 0.148184 ] [ 0.24385 0.25 0.057108 ] [ 0.25615 0.25 0.557108 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Mg" "Mg" "Mg" "Mg" "Ge" "Ge" "Ge" "Ge" "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" 5.05135069 "source-unit" "angstrom" } "b" { "source-value" 6.4565614 "source-unit" "angstrom" } "c" { "source-value" 11.3766495 "source-unit" "angstrom" } }