{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Cu" "Cu" ] } "a" { "source-value" [ 4.30859 4.019898 3.840978 3.710983 3.608823 3.524655 3.45308 3.390816 3.335716 3.286302 3.241508 3.200545 3.162807 3.127825 3.095222 3.064696 3.035998 3.008922 2.983293 2.958965 2.935812 2.913726 2.892613 2.87239 2.851946 2.830879 2.809148 2.786712 2.763522 2.739526 2.714667 2.688879 2.662091 2.634222 2.605181 2.574865 2.543157 2.509923 2.475008 2.438234 2.399392 2.358234 2.314467 2.267738 2.217616 2.16357 2.104933 2.040852 1.970212 1.891516 1.802684 1.700718 1.581046 1.4362 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.30859e-10 4.0198980000000006e-10 3.8409779999999997e-10 3.710983e-10 3.608823e-10 3.5246550000000004e-10 3.45308e-10 3.390816e-10 3.335716e-10 3.286302e-10 3.241508e-10 3.2005450000000003e-10 3.162807e-10 3.127825e-10 3.095222e-10 3.064696e-10 3.0359980000000006e-10 3.008922e-10 2.9832930000000003e-10 2.958965e-10 2.935812e-10 2.913726e-10 2.892613e-10 2.87239e-10 2.851946e-10 2.830879e-10 2.809148e-10 2.786712e-10 2.763522e-10 2.739526e-10 2.7146670000000003e-10 2.688879e-10 2.6620910000000003e-10 2.634222e-10 2.605181e-10 2.5748650000000003e-10 2.543157e-10 2.5099230000000004e-10 2.475008e-10 2.438234e-10 2.399392e-10 2.358234e-10 2.3144670000000002e-10 2.267738e-10 2.217616e-10 2.1635700000000002e-10 2.104933e-10 2.040852e-10 1.970212e-10 1.891516e-10 1.802684e-10 1.700718e-10 1.581046e-10 1.4362e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0.419135 0.824517 1.25894 1.69728 2.10584 2.44175 2.67368 2.81703 2.8989 2.95412 3.02015 3.09577 3.17204 3.24063 3.29491 3.34192 3.3818 3.4152 3.44314 3.46504 3.48163 3.49315 3.49993 3.50214 3.49975 3.49201 3.47793 3.45632 3.42575 3.3845 3.33111 3.26188 3.17422 3.06428 2.92725 2.75709 2.5471 2.28593 1.96175 1.55818 1.05357 0.419099 -0.38535 -1.4146 -2.74444 -4.49184 -6.82382 -10.0027 -14.4461 -20.8643 -30.5217 -45.8688 -72.1642 -122.432 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 6.715283034915899e-20 1.321021871735778e-19 2.0170442516079599e-19 2.7193423573555197e-19 3.37392764294256e-19 3.9121147960694995e-19 4.2837076227931197e-19 4.51337964327702e-19 4.644549844302599e-19 4.73302203803208e-19 4.8388137611751e-19 4.95997035823818e-19 5.082168370113359e-19 5.19206166543942e-19 5.279027813132939e-19 5.3543461366972795e-19 5.4182409408611995e-19 5.471753640436799e-19 5.51651845559076e-19 5.551606123875359e-19 5.57818623423342e-19 5.596643309057099e-19 5.6075060666356195e-19 5.61104687699676e-19 5.6072176748415e-19 5.59481682769434e-19 5.57225818068762e-19 5.537635143626879e-19 5.488656603925499e-19 5.422566817773e-19 5.33702660728374e-19 5.226107918911919e-19 5.085661115175479e-19 4.90951781603352e-19 4.6899715518765e-19 4.417345175835059e-19 4.0809041044613998e-19 3.6624636329596196e-19 3.1430700117495e-19 2.4964795875661196e-19 1.6880052362833798e-19 6.71470625132766e-20 -6.173987659119e-20 -2.2664390664564e-19 -4.39707764141496e-19 -7.196721091666559e-19 -1.093296495862188e-18 -1.60260922169118e-18 -2.3145203872427397e-18 -3.34282939447662e-18 -4.890115456995779e-18 -7.348991958961919e-18 -1.1561979505130279e-17 -1.96157689653888e-17 ] } }