{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "diamond" ] } "species" { "source-value" [ "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" "Cs" ] } "a" { "source-value" [ 16.2779 15.187214 14.51125 14.020127 13.634163 13.316172 13.04576 12.810525 12.602359 12.41567 12.246438 12.091676 11.949103 11.816939 11.693766 11.578438 11.470016 11.36772 11.270893 11.178981 11.091509 11.008068 10.928301 10.8519 10.799888 10.745148 10.687378 10.626221 10.561257 10.491979 10.417774 10.337886 10.251374 10.157037 10.053319 9.938145 9.808667 9.660822 9.488523 9.282046 9.02439 8.68152 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.62779e-09 1.5187214000000001e-09 1.4511250000000002e-09 1.4020127e-09 1.3634162999999999e-09 1.3316172000000001e-09 1.304576e-09 1.2810525e-09 1.2602359000000001e-09 1.2415670000000002e-09 1.2246438e-09 1.2091676e-09 1.1949103e-09 1.1816939e-09 1.1693766000000001e-09 1.1578438e-09 1.1470016e-09 1.136772e-09 1.1270892999999999e-09 1.1178981e-09 1.1091509000000001e-09 1.1008068e-09 1.0928301e-09 1.08519e-09 1.0799888e-09 1.0745148000000001e-09 1.0687378e-09 1.0626221e-09 1.0561257e-09 1.0491979e-09 1.0417774e-09 1.0337886e-09 1.0251374e-09 1.0157037e-09 1.0053319e-09 9.938145e-10 9.808667e-10 9.660822e-10 9.488523000000002e-10 9.282046e-10 9.02439e-10 8.681520000000001e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0 0.5 ] [ 0.75 0.25 0.75 ] [ 0.25 0.25 0.25 ] [ 0.25 0.75 0.75 ] [ 0.75 0.75 0.25 ] ] } "cohesive-potential-energy" { "source-value" [ 0.208451 0.312456 0.403865 0.487644 0.565953 0.63931 0.708513 0.773564 0.834668 0.891948 0.945532 0.995523 1.04179 1.0843 1.1232 1.15841 1.18974 1.21711 1.24047 1.25973 1.27481 1.28563 1.2923 1.29455 1.29342 1.2896 1.28235 1.27063 1.25317 1.22809 1.19281 1.14371 1.07559 0.98068 0.847099 0.65596 0.375427 -0.0507306 -0.730897 -1.89645 -4.11784 -9.17674 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 3.339753187823808e-20 5.0060969822868486e-20 6.47063060959392e-20 7.812918160733953e-20 9.067566650716225e-20 1.0242875354436481e-19 1.1351629641328704e-19 1.2393861554925313e-19 1.3372855557298945e-19 1.4290582325693184e-19 1.5149092646182658e-19 1.5950036760686785e-19 1.669131581783232e-19 1.7372401099334402e-19 1.7995647804825601e-19 1.855977419300928e-19 1.906173612830592e-19 1.950025186941888e-19 1.987452032803776e-19 2.018309954520384e-19 2.042470777962048e-19 2.059806328999104e-19 2.07049284705984e-19 2.0740977444566403e-19 2.072287284875136e-19 2.0661669701836803e-19 2.0545511896828804e-19 2.035773679687104e-19 2.007799675887936e-19 1.9676170862382719e-19 1.911092295056448e-19 1.8324254229751682e-19 1.723285151566272e-19 1.571222568486144e-19 1.3572022133030593e-19 1.050963776179968e-19 6.015003622170816e-20 -8.127938127915648e-21 -1.1710260856128578e-19 -3.0384478525161603e-19 -6.597506976195073e-19 -1.4702758283160194e-18 ] } }