{ "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" [ "Mo" ] } "a" { "source-value" [ 3.66487 3.419311 3.267123 3.156551 3.069654 2.998061 2.93718 2.884219 2.837352 2.79532 2.757219 2.722376 2.690276 2.660521 2.632789 2.606824 2.582414 2.559383 2.537583 2.51689 2.497196 2.47841 2.460451 2.44325 2.42586 2.40794 2.389456 2.370372 2.350646 2.330235 2.30909 2.287155 2.264369 2.240663 2.215961 2.190174 2.163203 2.134934 2.105235 2.073955 2.040915 2.005906 1.968678 1.92893 1.886296 1.840324 1.790448 1.73594 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 3.66487e-10 3.419311e-10 3.267123e-10 3.156551e-10 3.069654e-10 2.998061e-10 2.9371800000000003e-10 2.884219e-10 2.837352e-10 2.79532e-10 2.7572190000000004e-10 2.7223760000000004e-10 2.690276e-10 2.660521e-10 2.632789e-10 2.606824e-10 2.582414e-10 2.559383e-10 2.5375830000000004e-10 2.5168900000000003e-10 2.497196e-10 2.47841e-10 2.460451e-10 2.44325e-10 2.42586e-10 2.40794e-10 2.3894560000000003e-10 2.3703720000000003e-10 2.350646e-10 2.330235e-10 2.30909e-10 2.287155e-10 2.264369e-10 2.2406630000000002e-10 2.2159610000000001e-10 2.1901739999999998e-10 2.1632030000000003e-10 2.134934e-10 2.105235e-10 2.0739550000000004e-10 2.040915e-10 2.005906e-10 1.968678e-10 1.9289300000000002e-10 1.886296e-10 1.8403240000000003e-10 1.7904480000000001e-10 1.73594e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] ] } "cohesive-potential-energy" { "source-value" [ 0.448884 1.80551 2.93402 3.61752 4.03449 4.30389 4.48873 4.62165 4.71994 4.7934 4.84825 4.88891 4.91882 4.9408 4.95719 4.96998 4.98085 4.99127 5.00258 5.01572 5.02959 5.04218 5.05133 5.05486 5.05019 5.0333 5.00058 4.9473 4.86769 4.75505 4.60169 4.39873 4.13597 3.80171 3.38251 2.86303 2.22579 1.45071 0.514008 -0.614143 -1.97421 -3.62468 -5.65283 -8.188 -11.4174 -15.6084 -21.1461 -28.6004 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 7.19191456176456e-20 2.8927459344533397e-19 4.70081828768868e-19 5.795906017027679e-19 6.46396560810666e-19 6.895591993306259e-19 7.1917383223348205e-19 7.404699640526099e-19 7.56217758188196e-19 7.6798734774156e-19 7.7677528657904995e-19 7.83289736772894e-19 7.88081847085188e-19 7.9160343132672e-19 7.942293988298459e-19 7.962785827447319e-19 7.9802014874589e-19 7.99689616798518e-19 8.015016785715719e-19 8.036069386686479e-19 8.058291576600059e-19 8.078462980422119e-19 8.09312289662322e-19 8.098778580141239e-19 8.091296415260459e-19 8.064235651912199e-19 8.01181243244772e-19 7.9264484613882e-19 7.798899179555459e-19 7.618430003501699e-19 7.372720194911459e-19 7.047542425274818e-19 6.62655449292498e-19 6.091010931244139e-19 5.419378486271339e-19 4.58707976844102e-19 3.56610873019086e-19 2.3242936647101396e-19 8.23531607289072e-20 -9.839655645346619e-20 -3.16303313260914e-19 -5.80737760172712e-19 -9.056832141974219e-19 -1.3118622279192e-18 -1.82926915010316e-18 -2.5007413774125598e-18 -3.3879787320227397e-18 -4.58228926030536e-18 ] } }