{ "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" [ "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" "Zr" ] } "a" { "source-value" [ 9.78344 9.127913 8.721643 8.426467 8.194494 8.003374 7.84085 7.699468 7.574356 7.462152 7.360439 7.267424 7.181734 7.1023 7.02827 6.958956 6.893792 6.83231 6.774115 6.718873 6.666301 6.61615 6.568209 6.52229 6.475868 6.42803 6.378687 6.327741 6.275083 6.220597 6.164149 6.105593 6.044765 5.981483 5.91554 5.846701 5.774702 5.699237 5.619957 5.536455 5.448255 5.354798 5.255416 5.149308 5.035497 4.912776 4.779629 4.634122 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.783440000000002e-10 9.127913e-10 8.721643e-10 8.426467000000001e-10 8.194494000000001e-10 8.003374000000002e-10 7.84085e-10 7.699468e-10 7.574356e-10 7.462152e-10 7.360439000000001e-10 7.267424000000001e-10 7.181734e-10 7.1023e-10 7.02827e-10 6.958956e-10 6.893792000000001e-10 6.83231e-10 6.774115e-10 6.718873e-10 6.666301e-10 6.61615e-10 6.568209000000001e-10 6.52229e-10 6.475868e-10 6.42803e-10 6.378687000000001e-10 6.327740999999999e-10 6.275083e-10 6.220597e-10 6.164149000000001e-10 6.105593e-10 6.044765e-10 5.981483e-10 5.91554e-10 5.846701e-10 5.774701999999999e-10 5.699237000000001e-10 5.619957000000001e-10 5.536455000000001e-10 5.448255e-10 5.354798e-10 5.255416e-10 5.149308e-10 5.035497000000001e-10 4.912776e-10 4.779629e-10 4.634122e-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" [ 1.10195 1.62117 2.08211 2.45571 2.76719 3.04013 3.28662 3.51113 3.71338 3.89262 4.04973 4.18674 4.30585 4.40925 4.49812 4.57393 4.6378 4.69068 4.73346 4.76695 4.79188 4.80893 4.81872 4.82215 4.8188 4.8081 4.78899 4.76024 4.72051 4.66835 4.60226 4.52066 4.42101 4.29992 4.15323 3.97573 3.76153 3.50135 3.18403 2.79578 2.31964 1.73272 1.00473 0.0915884 -1.07199 -2.58138 -4.57749 -7.27763 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.7655185418363e-19 2.59740069374178e-19 3.33590799141774e-19 3.9344811818801397e-19 4.43352715983846e-19 4.87082525032242e-19 5.26574576883708e-19 5.62545044493642e-19 5.949490669162919e-19 6.23666480904108e-19 6.48838278000882e-19 6.70789700063316e-19 6.8987322595089e-19 7.064397323464499e-19 7.20678276092808e-19 7.328243771551619e-19 7.4305747931652e-19 7.51529789357112e-19 7.583839009973639e-19 7.637495905446299e-19 7.67743816893192e-19 7.704755280541619e-19 7.72044058978848e-19 7.725936055643099e-19 7.7205687639192e-19 7.703425473935398e-19 7.672807878459659e-19 7.626745300232159e-19 7.56309082256334e-19 7.4795212893338995e-19 7.37363343559284e-19 7.24289582225844e-19 7.08323892068034e-19 6.88923135206928e-19 6.654208061627819e-19 6.36982170909282e-19 6.02663547409002e-19 5.609781157455899e-19 5.10137846795502e-19 4.47933338980452e-19 3.71647300729176e-19 2.77612349726448e-19 1.6097549294788197e-19 1.467407944254456e-20 -1.7175173298816598e-19 -4.1358267194749192e-19 -7.33394752036866e-19 -1.166004873689742e-18 ] } }