{ "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" [ 4.85954 4.533932 4.332133 4.185516 4.070292 3.975361 3.894634 3.824408 3.762263 3.70653 3.656008 3.609806 3.567243 3.527788 3.491016 3.456587 3.424219 3.39368 3.364774 3.337335 3.311222 3.286311 3.262498 3.23969 3.224163 3.207821 3.190574 3.172316 3.152922 3.13224 3.110087 3.086238 3.06041 3.032247 3.001284 2.9669 2.928246 2.884109 2.832671 2.77103 2.69411 2.59175 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.85954e-10 4.533932e-10 4.332133e-10 4.185516e-10 4.0702920000000004e-10 3.975361e-10 3.894634e-10 3.824408e-10 3.762263e-10 3.70653e-10 3.656008e-10 3.609806e-10 3.567243e-10 3.5277880000000003e-10 3.491016e-10 3.456587e-10 3.424219e-10 3.3936799999999997e-10 3.364774e-10 3.337335e-10 3.311222e-10 3.286311e-10 3.262498e-10 3.23969e-10 3.224163e-10 3.207821e-10 3.190574e-10 3.172316e-10 3.152922e-10 3.13224e-10 3.110087e-10 3.086238e-10 3.06041e-10 3.032247e-10 3.0012840000000003e-10 2.9669e-10 2.9282460000000005e-10 2.884109e-10 2.832671e-10 2.7710300000000003e-10 2.69411e-10 2.5917500000000004e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0 0 0 0 0 0 0 0 0 0 0 0 5.5808e-07 0.00599545 0.100598 0.387953 0.857008 1.41318 1.94351 2.38647 2.71198 2.91836 3.02475 3.05506 3.04309 3.00833 2.95336 2.88171 2.79782 2.70685 2.61442 2.52613 2.44332 2.30754 1.92266 1.03246 -0.578624 -2.98085 -6.04113 -9.48422 -13.0264 -16.6031 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 8.941427359027199e-26 9.6057699003153e-22 1.61175765027132e-20 6.215692316902019e-20 1.3730781927510718e-19 2.26416397563612e-19 3.1138463099453397e-19 3.82354647174198e-19 4.34507098787532e-19 4.675728201600239e-19 4.8461837736915e-19 4.89474574746804e-19 4.875567693159059e-19 4.819876033361219e-19 4.731804383790239e-19 4.61700842796414e-19 4.48260183013788e-19 4.3368518217429e-19 4.1887626354622797e-19 4.04730646044642e-19 3.9146302133848796e-19 3.6970866700203596e-19 3.0804409271264398e-19 1.6541832875396398e-19 -9.27057852671616e-20 -4.7758482194589e-19 -9.678957328956419e-19 -1.519539567571548e-18 -2.08705937051376e-18 -2.66010988719654e-18 ] } }