{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "sc" ] } "species" { "source-value" [ "Si" ] } "a" { "source-value" [ 3.86382 3.60493 3.44448 3.327905 3.236291 3.160811 3.096625 3.040788 2.991377 2.947064 2.906894 2.870159 2.836317 2.804946 2.775709 2.748334 2.722599 2.698317 2.675334 2.653518 2.632755 2.612949 2.594015 2.57588 2.557546 2.538654 2.519166 2.499046 2.47825 2.456731 2.434438 2.411312 2.387289 2.362297 2.336253 2.309067 2.280632 2.250828 2.219518 2.18654 2.151707 2.114797 2.075548 2.033642 1.988695 1.940228 1.887644 1.830178 1.766829 1.696256 1.616594 1.525153 1.417834 1.28794 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 3.8638200000000003e-10 3.60493e-10 3.44448e-10 3.327905e-10 3.236291e-10 3.160811e-10 3.096625e-10 3.0407880000000003e-10 2.991377e-10 2.947064e-10 2.906894e-10 2.8701590000000004e-10 2.836317e-10 2.8049460000000005e-10 2.7757090000000003e-10 2.7483339999999997e-10 2.722599e-10 2.698317e-10 2.675334e-10 2.653518e-10 2.632755e-10 2.612949e-10 2.594015e-10 2.57588e-10 2.557546e-10 2.538654e-10 2.519166e-10 2.499046e-10 2.47825e-10 2.456731e-10 2.434438e-10 2.4113120000000005e-10 2.387289e-10 2.362297e-10 2.336253e-10 2.3090670000000004e-10 2.2806320000000002e-10 2.250828e-10 2.219518e-10 2.18654e-10 2.151707e-10 2.1147969999999998e-10 2.075548e-10 2.033642e-10 1.9886950000000003e-10 1.940228e-10 1.887644e-10 1.8301780000000003e-10 1.766829e-10 1.696256e-10 1.616594e-10 1.525153e-10 1.417834e-10 1.28794e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] ] } "cohesive-potential-energy" { "source-value" [ 0 0.0020982 0.253068 0.879385 1.55392 2.15051 2.65084 3.06496 3.40755 3.692 3.92921 4.12777 4.29446 4.43458 4.55237 4.6512 4.7338 4.8024 4.85882 4.9046 4.94101 4.9691 4.98924 4.99791 4.98343 4.92424 4.79534 4.57399 4.24205 3.78529 3.19163 2.44918 1.5451 0.464882 -0.807883 -2.29122 -4.00509 -5.97107 -8.21266 -10.756 -13.6307 -16.8728 -20.6558 -25.6698 -32.6947 -42.1397 -54.1774 -68.946 -87.6445 -114.702 -152.579 -232.445 -425.052 -891.682 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 3.3616870134588e-22 4.05459636413112e-20 1.4089300992900898e-19 2.48965431510528e-19 3.44549687318334e-19 4.2471139084725597e-19 4.91060729614464e-19 5.4594969891867e-19 5.915236132728e-19 6.29528845207914e-19 6.613416644526179e-19 6.880483467647639e-19 7.1049804576037205e-19 7.293700843322579e-19 7.4520439600608e-19 7.584383750029199e-19 7.694293067121599e-19 7.784687872811879e-19 7.8580355191164e-19 7.91637077036034e-19 7.9613759120094e-19 7.993643749418159e-19 8.00753462083494e-19 7.98433510317462e-19 7.88950226820816e-19 7.6829817000855605e-19 7.32833990214966e-19 6.7965133902597e-19 6.064703190913859e-19 5.11355501037342e-19 3.92401896846012e-19 2.4755231171933996e-19 7.44823077967188e-20 -1.294371265605822e-19 -3.67093914735348e-19 -6.41686161506706e-19 -9.566708833978379e-19 -1.3158131954986438e-18 -1.7233011875303998e-18 -2.1838789045063797e-18 -2.70332059101552e-18 -3.3094240116577196e-18 -4.11275537594532e-18 -5.2382684395639794e-18 -6.751524270376979e-18 -8.680176437087159e-18 -1.1046367020776398e-17 -1.4042196999861297e-17 -1.8377286427306797e-17 -2.44458508639086e-17 -3.7241794769012997e-17 -6.810083826349679e-17 -1.428632065358388e-16 ] } }