{ "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" [ "Ar" "Ar" "Ar" "Ar" "Ar" "Ar" "Ar" "Ar" ] } "a" { "source-value" [ 12.771 11.91529 11.384955 10.999638 10.696826 10.447343 10.235188 10.050632 9.887312 9.740844 9.608071 9.486651 9.374793 9.271102 9.174465 9.083984 8.99892 8.918662 8.842696 8.770585 8.701958 8.636493 8.573911 8.51397 8.453373 8.390927 8.326516 8.260013 8.191276 8.120151 8.046466 7.970029 7.890627 7.808021 7.721941 7.632082 7.538097 7.439588 7.336099 7.227098 7.111966 6.98997 6.860242 6.721733 6.573168 6.412972 6.239168 6.049227 5.839845 5.606581 5.343279 5.041042 4.686325 4.25699 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.2771e-09 1.191529e-09 1.1384955e-09 1.0999638e-09 1.0696826e-09 1.0447343e-09 1.0235188e-09 1.0050632e-09 9.887312e-10 9.740844e-10 9.608071e-10 9.486651e-10 9.374793000000001e-10 9.271102000000001e-10 9.174465e-10 9.083984e-10 8.99892e-10 8.918662e-10 8.842696000000001e-10 8.770585000000001e-10 8.701958e-10 8.636493e-10 8.573911000000001e-10 8.513970000000001e-10 8.453373e-10 8.390927e-10 8.326516e-10 8.260013000000001e-10 8.191276e-10 8.120151e-10 8.046466000000001e-10 7.970029e-10 7.890627000000001e-10 7.808021000000001e-10 7.721941000000001e-10 7.632081999999999e-10 7.538097e-10 7.439588e-10 7.336099e-10 7.227098e-10 7.111966e-10 6.989969999999999e-10 6.860242000000001e-10 6.721733000000001e-10 6.573168e-10 6.412972e-10 6.239168000000001e-10 6.049227e-10 5.839845000000001e-10 5.606581e-10 5.343279e-10 5.041042e-10 4.686325e-10 4.2569900000000003e-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" [ 2.46841e-06 4.10263e-06 5.76269e-06 7.18155e-06 8.49324e-06 9.70833e-06 1.0834e-05 1.18756e-05 1.28371e-05 1.39148e-05 1.47583e-05 1.55319e-05 1.62374e-05 1.68762e-05 1.74499e-05 1.79595e-05 1.84062e-05 1.8791e-05 1.91146e-05 1.93779e-05 1.95816e-05 1.97263e-05 1.98128e-05 1.98415e-05 1.98097e-05 1.97052e-05 1.95113e-05 1.92078e-05 1.87698e-05 1.8257e-05 1.74594e-05 1.64106e-05 1.50496e-05 1.32987e-05 1.10582e-05 8.19922e-06 4.55328e-06 8.28231e-08 -5.84606e-06 -1.3475e-05 -2.33528e-05 -3.6245e-05 -5.32381e-05 -7.59078e-05 -0.000106191 -0.000148321 -0.000207329 -0.000292719 -0.000419838 -0.000616397 -0.000936017 -0.00149143 -0.00254712 -0.00483189 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 3.9548288251319395e-25 6.57313792394742e-25 9.23284726698546e-25 1.1506111605902699e-24 1.360767067495416e-24 1.5554459481161219e-24 1.7357981652756e-24 1.90268088347304e-24 2.0567301668321397e-24 2.2293967426783197e-24 2.36454034175622e-24 2.48848472616246e-24 2.60151828769116e-24 2.7038653310710796e-24 2.7957822045636597e-24 2.8774291258323e-24 2.94899835607308e-24 3.0106501129494e-24 3.06249654882564e-24 3.1046818595988598e-24 3.1373181976334398e-24 3.16050169352742e-24 3.17436052141152e-24 3.1789587683510996e-24 3.17386384665498e-24 3.1571211008296798e-24 3.12605489589642e-24 3.0774288350545196e-24 3.00725349848532e-24 2.9250938806938e-24 2.79730427236596e-24 2.6292679869920397e-24 2.4112117471046398e-24 2.1306866402575798e-24 1.77171896540988e-24 1.313659870102548e-24 7.295158824059521e-25 1.326972355754454e-26 -9.36642073296204e-25 -2.158933014315e-24 -3.74153104984752e-24 -5.807089209933e-24 -8.52968398585554e-24 -1.216177034983452e-23 -1.7013673894109398e-23 -2.37636440531514e-23 -3.32177679350586e-23 -4.6898754212784595e-23 -6.72654633665292e-23 -9.875768706676979e-23 -1.499664566426778e-22 -2.38953429724662e-22 -4.0809361479940794e-22 -7.74154125605826e-22 ] } }