{ "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" [ "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" "Pd" ] } "a" { "source-value" [ 8.24847 7.695792 7.353264 7.1044 6.908822 6.747688 6.610664 6.491464 6.385981 6.291381 6.205628 6.127206 6.05496 5.987989 5.925574 5.867135 5.812195 5.760359 5.711294 5.66472 5.620396 5.578114 5.537694 5.49898 5.472624 5.444886 5.415611 5.384621 5.351702 5.316597 5.278995 5.238513 5.194675 5.146871 5.094314 5.035952 4.970341 4.895423 4.808114 4.703485 4.572923 4.39918 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.24847e-10 7.695792e-10 7.353264000000001e-10 7.104400000000001e-10 6.908822e-10 6.747688000000001e-10 6.610664e-10 6.491464e-10 6.385981000000001e-10 6.291381000000001e-10 6.205628e-10 6.127206e-10 6.054960000000001e-10 5.987989e-10 5.925574000000001e-10 5.867135e-10 5.812195e-10 5.760359e-10 5.711294e-10 5.66472e-10 5.620396e-10 5.578114000000001e-10 5.537694000000001e-10 5.49898e-10 5.472624e-10 5.444886e-10 5.415611000000001e-10 5.384621000000001e-10 5.351702000000001e-10 5.316597e-10 5.278995000000001e-10 5.238513e-10 5.194675e-10 5.146871e-10 5.094314e-10 5.035952e-10 4.970341000000001e-10 4.895423000000001e-10 4.808113999999999e-10 4.703485e-10 4.5729230000000004e-10 4.3991800000000005e-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" [ 0.373261 0.42874 0.477311 0.555732 0.626981 0.69092 0.746079 0.791536 0.827872 0.873498 0.916536 0.95395 0.986184 1.01407 1.03827 1.05926 1.07736 1.09277 1.10562 1.11599 1.12396 1.12956 1.13289 1.13397 1.13343 1.13168 1.1284 1.12327 1.11584 1.10471 1.09323 1.07964 1.06213 1.03886 1.00774 0.966056 0.910071 0.832474 0.741529 0.628458 0.457607 0.166964 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 5.98030052583474e-20 6.8691721006116e-20 7.64736531351174e-20 8.90380825166088e-20 1.004534308161954e-19 1.10697587996328e-19 1.195350340918086e-19 1.268180484169824e-19 1.326397174342848e-19 1.399498085445732e-19 1.4684525634198239e-19 1.5283964000043e-19 1.5800409616246559e-19 1.62471925924038e-19 1.66349193378318e-19 1.69712162133084e-19 1.72612101840624e-19 1.75081056033618e-19 1.77139853008308e-19 1.7880131017776598e-19 1.80078244955064e-19 1.8097546387010396e-19 1.8150898868922598e-19 1.8168202376569798e-19 1.8159550622746197e-19 1.8131512531651198e-19 1.8078961138056e-19 1.7996769476731798e-19 1.7877727752825597e-19 1.76994054934614e-19 1.7515475615878197e-19 1.7297739811317598e-19 1.70171986827042e-19 1.6644372179972398e-19 1.61457748114716e-19 1.547792350335504e-19 1.4580944914810138e-19 1.333770391212516e-19 1.188060437233386e-19 1.0069007230503719e-19 7.331672429548379e-20 2.6750581951917598e-20 ] } }