{ "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" [ [ 0.75 0.239932 0.342324 ] [ 0.25 0.760068 0.657676 ] [ 0.75 0.739932 0.157676 ] [ 0.25 0.260068 0.842324 ] [ 0.25 0.416962 0.10555 ] [ 0.75 0.083038 0.60555 ] [ 0.25 0.916962 0.39445 ] [ 0.75 0.583038 0.89445 ] [ 0.75 0.559453 0.390151 ] [ 0.25 0.440547 0.609849 ] [ 0.75 0.059453 0.109849 ] [ 0.25 0.940547 0.890151 ] [ 0.25 0.911624 0.068833 ] [ 0.75 0.088376 0.931167 ] [ 0.25 0.411624 0.431167 ] [ 0.75 0.588376 0.568833 ] [ 0.25 0.019695 0.721229 ] [ 0.75 0.980305 0.278771 ] [ 0.25 0.519695 0.778771 ] [ 0.75 0.480305 0.221229 ] [ 0.25 0.612592 0.026168 ] [ 0.75 0.387408 0.973832 ] [ 0.25 0.112592 0.473832 ] [ 0.75 0.887408 0.526168 ] [ 0.75 0.786165 0.841436 ] [ 0.25 0.213835 0.158564 ] [ 0.25 0.713835 0.341436 ] [ 0.75 0.286165 0.658564 ] ] } "species" { "source-value" [ "Ca" "Ca" "Ca" "Ca" "Co" "Co" "Co" "Co" "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" 3.0898357 "source-unit" "angstrom" } "b" { "source-value" 9.12601514 "source-unit" "angstrom" } "c" { "source-value" 10.45945754 "source-unit" "angstrom" } }