{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/structure-orthorhombic-crystal-npt" "instance-id" 1 "space-group" { "source-value" "P2_12_12_1" } "basis-atom-coordinates" { "source-value" [ [ 0.866796 0.204302 0.539113 ] [ 0.633204 0.704302 0.460887 ] [ 0.366796 0.795698 0.960887 ] [ 0.133204 0.295698 0.039113 ] [ 0.416548 0.349738 0.470654 ] [ 0.083452 0.849738 0.529346 ] [ 0.916548 0.650262 0.029346 ] [ 0.583452 0.150262 0.970654 ] [ 0.934333 0.976386 0.848295 ] [ 0.565667 0.476386 0.151705 ] [ 0.434333 0.023614 0.651705 ] [ 0.065667 0.523614 0.348295 ] [ 0.567189 0.386055 0.549553 ] [ 0.932811 0.886055 0.450447 ] [ 0.067189 0.613945 0.950447 ] [ 0.432811 0.113945 0.049553 ] [ 0.898335 0.136806 0.850957 ] [ 0.601665 0.636806 0.149043 ] [ 0.398335 0.863194 0.649043 ] [ 0.101665 0.363194 0.350957 ] ] } "species" { "source-value" [ "Zn" "Zn" "Zn" "Zn" "H" "H" "H" "H" "H" "H" "H" "H" "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" 5.45917428 "source-unit" "angstrom" } "b" { "source-value" 5.97194199 "source-unit" "angstrom" } "c" { "source-value" 6.37971902 "source-unit" "angstrom" } }