{ "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" [ "Si" "Si" ] } "a" { "source-value" [ 4.58075 4.273822 4.083601 3.945394 3.836781 3.747296 3.6712 3.605003 3.546423 3.493887 3.446264 3.402713 3.362592 3.3254 3.290738 3.258284 3.227773 3.198986 3.171738 3.145873 3.121258 3.097777 3.07533 3.05383 3.039193 3.023789 3.007531 2.990321 2.97204 2.952544 2.931662 2.909181 2.884835 2.858288 2.8291 2.796689 2.760252 2.718647 2.67016 2.612055 2.539548 2.44306 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.5807500000000004e-10 4.273822e-10 4.083601e-10 3.945394e-10 3.8367810000000003e-10 3.7472960000000004e-10 3.6711999999999997e-10 3.605003e-10 3.546423e-10 3.493887e-10 3.446264e-10 3.402713e-10 3.362592e-10 3.3254e-10 3.290738e-10 3.258284e-10 3.227773e-10 3.198986e-10 3.171738e-10 3.145873e-10 3.1212580000000004e-10 3.097777e-10 3.0753300000000005e-10 3.05383e-10 3.039193e-10 3.023789e-10 3.0075310000000003e-10 2.990321e-10 2.97204e-10 2.952544e-10 2.931662e-10 2.909181e-10 2.884835e-10 2.858288e-10 2.8291e-10 2.7966890000000004e-10 2.760252e-10 2.718647e-10 2.6701600000000004e-10 2.612055e-10 2.539548e-10 2.44306e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0 6.00759e-12 0.008036 0.161793 0.550189 1.07266 1.63053 2.1679 2.66216 3.1148 3.53505 3.92819 4.29467 4.63243 4.93897 5.21223 5.45098 5.65479 5.82393 5.95919 6.06175 6.13302 6.17458 6.18806 6.18159 6.16041 6.12142 6.0608 5.97377 5.85428 5.69462 5.4848 5.21161 4.85738 4.39769 3.79809 3.00808 1.95056 0.500852 -1.55789 -4.64425 -9.6988 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 9.625220245351874e-31 1.28750913247488e-21 2.592209620090944e-20 8.814999528213313e-20 1.718590774067328e-19 2.612397045513024e-19 3.47335869623232e-19 4.2652505128289284e-19 4.99045973846784e-19 5.66377446335904e-19 6.293654180060353e-19 6.880819868051137e-19 7.421971043492544e-19 7.913102264832577e-19 8.350913048232384e-19 8.733432716448386e-19 9.059972333533632e-19 9.330964487175745e-19 9.547674896905153e-19 9.7119941311344e-19 9.826181258898816e-19 9.892767719259264e-19 9.914365060107648e-19 9.903998977371072e-19 9.870064876542528e-19 9.807596010097537e-19 9.710472063344642e-19 9.571034632036417e-19 9.379590547617025e-19 9.123787028340096e-19 8.78761832976384e-19 8.349919698727489e-19 7.782380674341504e-19 7.0458761035259525e-19 6.085211001694273e-19 4.819475449496064e-19 3.1251416294676483e-19 8.024533648809216e-20 -2.496014935778112e-19 -7.440908771150401e-19 -1.5539190609815041e-18 ] } }