{ "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" [ 8.1465 7.600654 7.262361 7.016573 6.823413 6.664272 6.528941 6.411215 6.307036 6.213606 6.128912 6.051459 5.980107 5.913964 5.852321 5.794604 5.740343 5.689148 5.64069 5.594691 5.550915 5.509156 5.469236 5.431 5.40497 5.377574 5.348662 5.318055 5.285543 5.250872 5.213735 5.173754 5.130458 5.083245 5.031338 4.973697 4.908898 4.834907 4.748677 4.645342 4.516395 4.3448 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.1465e-10 7.600654e-10 7.262361000000001e-10 7.016573e-10 6.823413e-10 6.664272000000001e-10 6.528941e-10 6.411215e-10 6.307036e-10 6.213606000000001e-10 6.128912e-10 6.051459000000001e-10 5.980107e-10 5.913964e-10 5.852321e-10 5.794604e-10 5.740343000000001e-10 5.689148e-10 5.640690000000001e-10 5.594691000000001e-10 5.550915e-10 5.509156e-10 5.469236e-10 5.431e-10 5.40497e-10 5.377574e-10 5.348662000000001e-10 5.318055000000001e-10 5.285543e-10 5.250872e-10 5.213735e-10 5.173754e-10 5.130458e-10 5.083245e-10 5.031338e-10 4.973697e-10 4.908898e-10 4.834907000000001e-10 4.748677e-10 4.6453420000000004e-10 4.5163950000000005e-10 4.3448000000000003e-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" [ 1.39316 1.94899 2.36783 2.70547 2.98701 3.22654 3.43292 3.61219 3.76872 3.90578 4.0259 4.1311 4.223 4.30296 4.37211 4.43139 4.48163 4.52353 4.55772 4.58475 4.60508 4.61915 4.62734 4.63 4.62872 4.62451 4.61674 4.60459 4.58702 4.56269 4.52984 4.48613 4.42837 4.35213 4.2511 4.11599 3.93258 3.67808 3.31367 2.76755 1.89111 0.318829 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.2320883994234397e-19 3.1226262378996596e-19 3.7936818992842197e-19 4.3346408179879797e-19 4.78571762752434e-19 5.16948699666636e-19 5.50014421039128e-19 5.78736641556846e-19 6.03815512408848e-19 6.25774945354452e-19 6.4502029108206e-19 6.6187518927174e-19 6.765991925381999e-19 6.894101969036639e-19 7.00489248327774e-19 7.099869514141261e-19 7.18036286823342e-19 7.247494069198019e-19 7.302272488314479e-19 7.345579322731499e-19 7.378151573700719e-19 7.4006941989411e-19 7.41381602557356e-19 7.418077815419999e-19 7.41602702932848e-19 7.409281865699339e-19 7.396832953253159e-19 7.37736650715006e-19 7.34921626369068e-19 7.310235306185459e-19 7.25760380375856e-19 7.18757266308642e-19 7.095030940706579e-19 6.972880994130419e-19 6.811013088797399e-19 6.59454300377766e-19 6.300687787335719e-19 5.89293383398272e-19 5.309084646786779e-19 4.4341039434267e-19 3.02989225432374e-19 5.108203740415859e-20 ] } }