{ "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" [ "C" "C" "C" "C" "C" "C" "C" "C" ] } "a" { "source-value" [ 5.35093 4.992399 4.770195 4.608753 4.481878 4.377348 4.288458 4.211131 4.142703 4.081334 4.025704 3.97483 3.927964 3.884518 3.844029 3.806118 3.770478 3.736851 3.705022 3.674809 3.646055 3.618626 3.592405 3.56729 3.5419 3.515736 3.488748 3.460883 3.432083 3.402282 3.371409 3.339382 3.306113 3.271502 3.235435 3.197784 3.158405 3.11713 3.073769 3.028098 2.979858 2.928743 2.874387 2.816353 2.754105 2.686984 2.614161 2.534577 2.446847 2.349111 2.238789 2.112153 1.963529 1.78364 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.35093e-10 4.992399e-10 4.770195e-10 4.608753e-10 4.481878e-10 4.377348e-10 4.2884580000000003e-10 4.211131e-10 4.142703e-10 4.081334e-10 4.025704e-10 3.97483e-10 3.927964e-10 3.884518e-10 3.8440290000000003e-10 3.8061180000000005e-10 3.7704780000000003e-10 3.736851e-10 3.7050220000000004e-10 3.6748090000000004e-10 3.646055e-10 3.618626e-10 3.592405e-10 3.56729e-10 3.5419e-10 3.515736e-10 3.4887480000000004e-10 3.460883e-10 3.432083e-10 3.402282e-10 3.371409e-10 3.3393820000000003e-10 3.306113e-10 3.271502e-10 3.235435e-10 3.197784e-10 3.158405e-10 3.1171300000000003e-10 3.073769e-10 3.028098e-10 2.9798580000000003e-10 2.928743e-10 2.874387e-10 2.816353e-10 2.754105e-10 2.6869839999999997e-10 2.614161e-10 2.534577e-10 2.4468470000000003e-10 2.349111e-10 2.2387890000000002e-10 2.1121530000000002e-10 1.9635290000000002e-10 1.78364e-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" [ 1.24051 2.41939 3.29574 3.9841 4.54215 5.00369 5.39057 5.71781 5.99629 6.23415 6.43766 6.61179 6.76051 6.88709 6.99422 7.08418 7.15886 7.21993 7.26878 7.30666 7.33463 7.35362 7.36449 7.36796 7.36433 7.35285 7.33251 7.30219 7.26063 7.20638 7.13783 7.05314 6.95025 6.82684 6.68029 6.50767 6.30572 6.07088 5.7993 5.48693 5.12974 4.72414 4.26763 3.7602 3.20664 2.62095 2.03443 1.51121 1.17903 1.29284 2.3744 5.54186 13.3662 32.4074 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.98751613624334e-19 3.8762901265332594e-19 5.28035761973916e-19 6.3832319275194e-19 7.2773265981231e-19 8.016795201779459e-19 8.636645297941379e-19 9.16094157965154e-19 9.607115728687859e-19 9.9882094628511e-19 1.0314268429636439e-18 1.059325544691486e-18 1.0831531155923338e-18 1.1034334674255058e-18 1.120597585705548e-18 1.1350107667050118e-18 1.1469758218077239e-18 1.1567603145115619e-18 1.164586947368652e-18 1.170655992458244e-18 1.1751372805035419e-18 1.178179813931508e-18 1.179921379932666e-18 1.1804773352246639e-18 1.1798957451065218e-18 1.17805644633069e-18 1.174797619057134e-18 1.1699398195028459e-18 1.163281173411942e-18 1.154589365172492e-18 1.143606444346422e-18 1.1300376104330758e-18 1.1135528150458498e-18 1.0937803532056558e-18 1.070300454634386e-18 1.042643681578278e-18 1.010287724454648e-18 9.72662208381792e-19 9.291502953556198e-19 8.791031038393619e-19 8.21874956649516e-19 7.56890672374476e-19 6.837497068557419e-19 6.0245045791668e-19 5.13760368164976e-19 4.1992248488823e-19 3.2595162095086197e-19 2.42122535106714e-19 1.88901431678502e-19 2.0713580395005598e-19 3.8042081997696e-19 8.87903860089924e-19 2.1415013325370797e-18 5.19223790486916e-18 ] } }