{ "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" [ 4.30579 4.017287 3.838484 3.708574 3.606481 3.522368 3.45084 3.388616 3.333553 3.284171 3.239407 3.19847 3.160757 3.125797 3.093216 3.06271 3.034031 3.006972 2.98136 2.957048 2.93391 2.911839 2.890739 2.87053 2.850099 2.829045 2.807329 2.784907 2.761732 2.737752 2.712909 2.687138 2.660367 2.632516 2.603494 2.573198 2.54151 2.508297 2.473406 2.436655 2.397838 2.356707 2.312968 2.266269 2.21618 2.162169 2.10357 2.039531 1.968937 1.890291 1.801517 1.699617 1.580022 1.43527 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.30579e-10 4.0172869999999997e-10 3.838484e-10 3.708574e-10 3.606481e-10 3.5223680000000003e-10 3.45084e-10 3.388616e-10 3.3335530000000003e-10 3.2841710000000005e-10 3.239407e-10 3.19847e-10 3.160757e-10 3.1257970000000003e-10 3.093216e-10 3.0627100000000003e-10 3.034031e-10 3.0069720000000004e-10 2.9813600000000003e-10 2.957048e-10 2.93391e-10 2.911839e-10 2.890739e-10 2.8705300000000003e-10 2.8500990000000005e-10 2.829045e-10 2.807329e-10 2.784907e-10 2.761732e-10 2.7377520000000003e-10 2.712909e-10 2.687138e-10 2.6603670000000003e-10 2.632516e-10 2.603494e-10 2.5731980000000004e-10 2.54151e-10 2.508297e-10 2.4734060000000003e-10 2.436655e-10 2.3978380000000005e-10 2.3567070000000004e-10 2.3129680000000003e-10 2.266269e-10 2.2161800000000001e-10 2.162169e-10 2.10357e-10 2.0395310000000004e-10 1.968937e-10 1.890291e-10 1.8015170000000002e-10 1.699617e-10 1.580022e-10 1.4352700000000002e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 1.05939 1.45611 1.75632 2.00187 2.20874 2.386 2.53975 2.67501 2.7939 2.89862 2.99123 3.07334 3.14553 3.20873 3.26369 3.31107 3.35143 3.38524 3.41302 3.4352 3.45197 3.46363 3.47046 3.47269 3.47062 3.46361 3.45062 3.43048 3.40164 3.36245 3.31092 3.24464 3.16091 3.0561 2.92551 2.76364 2.56393 2.31734 2.01194 1.63272 1.16017 0.568223 -0.177195 -1.12669 -2.34786 -3.93929 -6.05048 -8.90862 -12.8733 -18.549 -27.0099 -40.3228 -62.8788 -105.504 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.69732990429326e-19 2.3329454185337396e-19 2.81393486582688e-19 3.2073493383055793e-19 3.53879161858116e-19 3.822793448724e-19 4.0691281062015e-19 4.2858385177163396e-19 4.4763212977326e-19 4.64410123484508e-19 4.79247881291982e-19 4.92403353633756e-19 5.03969466754602e-19 5.14095223081482e-19 5.229007858619459e-19 5.304918987538379e-19 5.36958283648662e-19 5.42375242848216e-19 5.468260895374679e-19 5.5037971731168e-19 5.53066567526898e-19 5.54934705482142e-19 5.560289921231639e-19 5.56386277512546e-19 5.560546269493079e-19 5.54931501128874e-19 5.52850273681308e-19 5.49623489940432e-19 5.450028125279759e-19 5.387238822993299e-19 5.304678661043279e-19 5.19848639374176e-19 5.06433614417694e-19 4.896412011167399e-19 4.687183764533339e-19 4.42783943278776e-19 4.1078687372116197e-19 3.71278800103356e-19 3.22348325700996e-19 2.61590583386448e-19 1.8587972654677798e-19 9.10393613501382e-20 -2.8389768866162994e-20 -1.8051563917614598e-19 -3.7616864319032395e-19 -6.31143839254986e-19 -9.69393768048432e-19 -1.427318280518508e-18 -2.0625300462472198e-18 -2.9718774384065996e-18 -4.3274630666676595e-18 -6.4604247977455195e-18 -1.0074294413395919e-17 -1.69036043593536e-17 ] } }