{ "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" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "a" { "source-value" [ 8.03394 7.495636 7.162017 6.919625 6.729134 6.572191 6.438731 6.322631 6.219892 6.127752 6.044229 5.967847 5.89748 5.832251 5.771459 5.71454 5.661029 5.610541 5.562752 5.51739 5.474218 5.433036 5.393667 5.35596 5.317839 5.278556 5.238036 5.196201 5.15296 5.108217 5.061863 5.013778 4.963828 4.911862 4.857711 4.801182 4.742058 4.680088 4.614985 4.546415 4.473987 4.397243 4.315633 4.2285 4.135041 4.034265 3.924928 3.80544 3.673722 3.52698 3.361342 3.171211 2.948066 2.67798 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.03394e-10 7.495636000000001e-10 7.162017e-10 6.919625e-10 6.729134000000001e-10 6.572191000000001e-10 6.438731e-10 6.322631000000001e-10 6.219892e-10 6.127752e-10 6.044229e-10 5.967847e-10 5.89748e-10 5.832251000000001e-10 5.771459000000001e-10 5.714540000000001e-10 5.661029e-10 5.610541e-10 5.562752e-10 5.51739e-10 5.474218e-10 5.433036000000001e-10 5.393667e-10 5.35596e-10 5.317839e-10 5.278556e-10 5.238036e-10 5.196201e-10 5.15296e-10 5.108217e-10 5.061863e-10 5.013778e-10 4.963828000000001e-10 4.911862000000001e-10 4.857711e-10 4.801182e-10 4.742058000000001e-10 4.680088e-10 4.614985e-10 4.546415e-10 4.4739870000000003e-10 4.397243e-10 4.315633e-10 4.2285000000000004e-10 4.1350410000000003e-10 4.0342650000000004e-10 3.924928e-10 3.80544e-10 3.673722e-10 3.52698e-10 3.361342e-10 3.1712110000000003e-10 2.948066e-10 2.67798e-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" [ 0.0335073 0.359227 0.919348 1.50083 2.01815 2.45457 2.81636 3.11506 3.36211 3.56784 3.74023 3.885 4.00648 4.10815 4.19286 4.26294 4.3203 4.36656 4.40306 4.43099 4.45134 4.46499 4.47271 4.47515 4.47264 4.46475 4.45091 4.43046 4.40265 4.36659 4.32125 4.27304 4.22962 4.1857 4.14273 4.08256 3.86001 3.60328 3.40811 3.17686 2.89999 2.56654 2.16184 1.6661 1.05209 0.282005 -0.697022 -1.96017 -9.70349 -12.1325 -15.6526 -21.0586 -30.0499 -46.848 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 5.368461312842819e-21 5.75545105701918e-20 1.472957884114632e-19 2.40459475760622e-19 3.2334327739070997e-19 3.9326547005173794e-19 4.512306184932239e-19 4.99087634550804e-19 5.38669408293774e-19 5.716309881850559e-19 5.992509111785819e-19 6.224456223089999e-19 6.419088640588319e-19 6.5819819389671e-19 6.717702321633239e-19 6.82998286014396e-19 6.921883711870199e-19 6.996000402959039e-19 7.054479850100039e-19 7.09922864348766e-19 7.1318329379895595e-19 7.15370264904366e-19 7.16607145265814e-19 7.1699807636451e-19 7.16595930029376e-19 7.153318126651501e-19 7.131144002036941e-19 7.098379489871639e-19 7.0538229576801e-19 6.99604846825806e-19 6.9234057796725e-19 6.846164844147359e-19 6.77659833469908e-19 6.706230736933799e-19 6.63738520697082e-19 6.540982238903039e-19 6.184417829006339e-19 5.773091021759519e-19 5.46039420810174e-19 5.089890861489239e-19 4.64629621683366e-19 4.1120504182263594e-19 3.46364953444656e-19 2.6693864899074e-19 1.6856340148650598e-19 4.5182182167117e-20 -1.116752361783948e-19 -3.14053857266778e-19 -1.554670494625266e-18 -1.9438408012005e-18 -2.50782299813484e-18 -3.3739596864752395e-18 -4.8145247634036596e-18 -7.505877094963199e-18 ] } }