{ "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" [ "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" "Sn" ] } "a" { "source-value" [ 9.27303 8.651703 8.266629 7.986852 7.766982 7.585833 7.431789 7.297783 7.179198 7.072847 6.976442 6.888279 6.80706 6.73177 6.661603 6.595904 6.53414 6.475865 6.420706 6.368347 6.318517 6.270983 6.225543 6.18202 6.13802 6.092678 6.045909 5.997621 5.947711 5.896067 5.842563 5.787062 5.729409 5.669428 5.606925 5.541678 5.473435 5.401907 5.326763 5.247617 5.164019 5.075438 4.981241 4.880669 4.772796 4.656477 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.27303e-10 8.651703e-10 8.266629e-10 7.986852e-10 7.766982e-10 7.585833e-10 7.431789000000001e-10 7.297783e-10 7.179198000000001e-10 7.072847e-10 6.976442e-10 6.888279e-10 6.80706e-10 6.73177e-10 6.661603000000001e-10 6.595904e-10 6.534140000000001e-10 6.475865e-10 6.420706e-10 6.368347e-10 6.318517e-10 6.270983e-10 6.225543e-10 6.18202e-10 6.13802e-10 6.092678e-10 6.045909000000001e-10 5.997621e-10 5.947711e-10 5.896067000000001e-10 5.842563000000001e-10 5.787062e-10 5.729409000000001e-10 5.669428e-10 5.606925e-10 5.541678e-10 5.473435000000001e-10 5.401907e-10 5.326763e-10 5.247617e-10 5.164019e-10 5.075438000000001e-10 4.981241e-10 4.880669e-10 4.772796e-10 4.656477e-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" [ 0.950897 1.42534 1.84232 2.22449 2.58171 2.91634 3.23201 3.52875 3.80748 4.06877 4.3132 4.54124 4.75228 4.94622 5.12364 5.28426 5.42716 5.55204 5.65858 5.74644 5.81524 5.8646 5.89499 5.90526 5.89368 5.85494 5.78189 5.66598 5.49518 5.25462 4.92507 4.4815 3.89097 3.11012 2.08001 0.721053 -1.07497 -3.46233 -6.65785 -10.9722 -16.8671 -25.0361 -36.5586 -53.1504 -77.6444 -114.912 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.5235049547406978e-19 2.28364644350556e-19 2.95172205635088e-19 3.5640259005666593e-19 4.13635543776414e-19 4.67249180479956e-19 5.178250902854339e-19 5.653680797227499e-19 6.10025549042232e-19 6.518888223120179e-19 6.9105082577688e-19 7.275868617386159e-19 7.613991974225519e-19 7.92471811062348e-19 8.208976289027759e-19 8.466317899980839e-19 8.69526894097944e-19 8.89534875903336e-19 9.066044657619718e-19 9.20681189668296e-19 9.317041649102159e-19 9.3961250877564e-19 9.44481523566366e-19 9.461269589694839e-19 9.442716384273119e-19 9.38064806147196e-19 9.263609058358259e-19 9.07790076471132e-19 8.80424899562412e-19 8.418829384549079e-19 7.890832074814379e-19 7.180154585270999e-19 6.234021217594979e-19 4.98296159293608e-19 3.33254342048634e-19 1.155254268475602e-19 -1.7222918162509798e-19 -5.54726422519722e-19 -1.06670517026769e-18 -1.75794024635748e-18 -2.70240735033414e-18 -4.0112254426487396e-18 -5.8573334691752396e-18 -8.515632896775358e-18 -1.244000434409496e-17 -1.84109321366208e-17 ] } }