{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "diamond" ] } "species" { "source-value" [ "Au" "Au" "Au" "Au" "Au" "Au" "Au" "Au" ] } "a" { "source-value" [ 8.96242 8.361905 7.98973 7.719326 7.50682 7.331739 7.182855 7.053338 6.938725 6.835937 6.742761 6.657551 6.579053 6.506285 6.438468 6.37497 6.315275 6.258952 6.205641 6.155036 6.106875 6.060933 6.017015 5.97495 5.932424 5.8886 5.843398 5.796727 5.748489 5.698574 5.646863 5.593221 5.537498 5.479527 5.419117 5.356055 5.290098 5.220966 5.148339 5.071844 4.991046 4.905432 4.81439 4.717187 4.612926 4.500503 4.37853 4.245233 4.098292 3.934591 3.74981 3.537705 3.28877 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.96242e-10 8.361905e-10 7.98973e-10 7.719326e-10 7.506820000000001e-10 7.331739e-10 7.182855e-10 7.053338000000001e-10 6.938725e-10 6.835937000000001e-10 6.742761e-10 6.657551e-10 6.579053e-10 6.506285e-10 6.438468e-10 6.374970000000001e-10 6.315275e-10 6.258952e-10 6.205641e-10 6.155036e-10 6.106875e-10 6.060933e-10 6.017015e-10 5.97495e-10 5.932424000000001e-10 5.888600000000001e-10 5.843398e-10 5.796727e-10 5.748489e-10 5.698574e-10 5.646863e-10 5.593221e-10 5.537498e-10 5.479527e-10 5.419117e-10 5.356055e-10 5.290098000000001e-10 5.220966e-10 5.148339e-10 5.071844e-10 4.991046e-10 4.905432e-10 4.81439e-10 4.717187e-10 4.612926e-10 4.5005030000000006e-10 4.3785299999999997e-10 4.245233e-10 4.0982919999999997e-10 3.9345910000000003e-10 3.7498100000000004e-10 3.537705e-10 3.2887700000000003e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0.5 0 ] [ 0.5 0 0.5 ] [ 0.75 0.25 0.75 ] [ 0.25 0.25 0.25 ] [ 0.25 0.75 0.75 ] [ 0.75 0.75 0.25 ] ] } "cohesive-potential-energy" { "source-value" [ 0.102396 0.14001 0.172087 0.2101 0.261522 0.336173 0.452498 0.646139 0.965983 1.26708 1.47849 1.65639 1.82649 2.00236 2.1936 2.40366 2.59937 2.7409 2.83474 2.89714 2.93831 2.9641 2.978 2.98227 2.978 2.96475 2.94164 2.90749 2.8607 2.79922 2.72036 2.62059 2.49525 2.33818 2.14115 1.89309 1.57889 1.17753 0.659308 -0.0186736 -0.919842 -2.1396 -3.82263 -6.19246 -9.61252 -14.714 -22.6333 -35.3547 -56.5918 -94.3962 -168.438 -334.383 -781.279 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.6405647861506398e-20 2.2432075052633998e-20 2.75713770415158e-20 3.366173108034e-20 4.1900443767694794e-20 5.3860852558168194e-20 7.24981722531732e-20 1.035228808116126e-19 1.547675391441222e-19 2.0300859694087198e-19 2.36880213160266e-19 2.65382935479126e-19 2.9263596002346597e-19 3.2081344048562397e-19 3.5145346643424e-19 3.8510878880804395e-19 4.16464987712058e-19 4.391405936130599e-19 4.54175419146516e-19 4.641730013426759e-19 4.70769162544854e-19 4.7490117608394e-19 4.771282016052e-19 4.77812331027918e-19 4.771282016052e-19 4.7500531756515e-19 4.71302687363976e-19 4.658312541588659e-19 4.583346696883799e-19 4.48484487742548e-19 4.35849722806824e-19 4.1986480652940596e-19 3.9978312459884997e-19 3.74617736208612e-19 3.4305004998891e-19 3.03306456405906e-19 2.5296606656562596e-19 1.8866110518340197e-19 1.0563278722092719e-19 -2.9918405592662396e-21 -1.473749359371828e-19 -3.4280171261064e-19 -6.12452846642742e-19 -9.92141471897964e-19 -1.540095493785768e-18 -2.3574426992676e-18 -3.6262544410312194e-18 -5.6644474242079795e-18 -9.06700596360012e-18 -1.5123938597839078e-17 -2.6986742787769195e-17 -5.3574062940682196e-17 -1.251746958434886e-16 ] } }