{ "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" [ "Br" "Br" "Br" "Br" "Br" "Br" "Br" "Br" ] } "a" { "source-value" [ 16.2829 15.191892 14.515729 14.024461 13.638383 13.320299 13.049807 12.814503 12.606275 12.419531 12.25025 12.095442 11.952827 11.820623 11.697414 11.582052 11.473599 11.371272 11.274417 11.182478 11.09498 11.011514 10.931724 10.8553 10.778038 10.69842 10.616296 10.531504 10.443865 10.353181 10.259232 10.161775 10.060538 9.955215 9.845463 9.730893 9.611062 9.485463 9.353514 9.214538 9.067744 8.9122 8.746796 8.570197 8.380777 8.176527 7.954927 7.712753 7.44579 7.148379 6.812668 6.427316 5.975052 5.42765 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.6282900000000002e-09 1.5191892e-09 1.4515729e-09 1.4024461e-09 1.3638383e-09 1.3320299000000002e-09 1.3049807e-09 1.2814503e-09 1.2606275e-09 1.2419531e-09 1.225025e-09 1.2095442e-09 1.1952827e-09 1.1820623e-09 1.1697414e-09 1.1582052e-09 1.1473599e-09 1.1371272e-09 1.1274417e-09 1.1182478e-09 1.109498e-09 1.1011514e-09 1.0931724000000002e-09 1.08553e-09 1.0778038000000001e-09 1.0698420000000001e-09 1.0616296e-09 1.0531504e-09 1.0443865e-09 1.0353181e-09 1.0259232e-09 1.0161775000000001e-09 1.0060538e-09 9.955215000000002e-10 9.845463000000001e-10 9.730893e-10 9.611062e-10 9.485463e-10 9.353514000000001e-10 9.214537999999999e-10 9.067744e-10 8.9122e-10 8.746796e-10 8.570197e-10 8.380777000000001e-10 8.176527e-10 7.954927e-10 7.712753e-10 7.44579e-10 7.148379e-10 6.812668000000001e-10 6.427316e-10 5.975052e-10 5.42765e-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 0.00378904 0.0193133 0.0461592 0.0800467 0.11655 0.152567 0.186321 0.216981 0.244292 0.268314 0.28926 0.307404 0.323026 0.336389 0.34773 0.357253 0.365136 0.371527 0.376554 0.380323 0.382926 0.38444 0.384931 0.384403 0.3827 0.379613 0.37489 0.368224 0.359245 0.347494 0.332411 0.313299 0.28929 0.259297 0.221944 0.176781 0.121661 0.0543245 -0.0276902 -0.127342 -0.248315 -0.395556 -0.576472 -0.80336 -1.09626 -1.48915 -2.0414 -2.84803 -4.06947 -6.01382 -9.34213 -15.5359 -28.27 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 6.07071135329136e-22 3.0943317985432197e-21 7.395519168413279e-21 1.2824895236880779e-20 1.867336866927e-20 2.44439282519478e-20 2.9851915262351397e-20 3.47641888221954e-20 3.91398934273128e-20 4.29886421375076e-20 4.6344561315084e-20 4.92515505998136e-20 5.1754470937448396e-20 5.3895459573462593e-20 5.5712488094082e-20 5.72382409026402e-20 5.85012367432224e-20 5.95251878300118e-20 6.033060202392359e-20 6.09344623972782e-20 6.13515089751084e-20 6.1594078517496e-20 6.16727453902254e-20 6.158815046395019e-20 6.131529978318e-20 6.082070785626419e-20 6.0063999832026e-20 5.899598888780159e-20 5.7557394488133e-20 5.56746767255196e-20 5.32581137084574e-20 5.01960337255566e-20 4.6349367844985995e-20 4.1543959466629794e-20 3.5559349085649595e-20 2.83234387535154e-20 1.94922411469074e-20 8.703744455373299e-21 -4.43645914307868e-21 -2.0402437692682802e-20 -3.9784449087171e-20 -6.33750580638504e-20 -9.236099685552479e-20 -1.2871246206902398e-19 -1.7564021567888398e-19 -2.3858813345210996e-19 -3.2706833806475994e-19 -4.56304711893102e-19 -6.520009746763979e-19 -9.63520188508188e-19 -1.4967742397790417e-18 -2.48912559681606e-18 -4.5293533443179994e-18 ] } }