{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Be" "Be" "Be" "Be" ] } "a" { "source-value" [ 4.87673 4.54997 4.347458 4.200322 4.084691 3.989423 3.908411 3.837936 3.775571 3.719641 3.668941 3.622576 3.579862 3.540267 3.503365 3.468814 3.436332 3.405685 3.376677 3.349141 3.322935 3.297936 3.274039 3.25115 3.235568 3.219168 3.20186 3.183538 3.164075 3.14332 3.121089 3.097155 3.071237 3.042974 3.011901 2.977396 2.938605 2.894312 2.842692 2.780833 2.703641 2.60092 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.876730000000001e-10 4.54997e-10 4.347458e-10 4.200322e-10 4.0846910000000006e-10 3.9894230000000003e-10 3.908411e-10 3.8379360000000004e-10 3.775571e-10 3.7196410000000004e-10 3.668941e-10 3.622576e-10 3.579862e-10 3.540267e-10 3.503365e-10 3.4688140000000003e-10 3.436332e-10 3.4056850000000003e-10 3.376677e-10 3.349141e-10 3.3229350000000003e-10 3.297936e-10 3.2740390000000003e-10 3.25115e-10 3.2355680000000003e-10 3.2191679999999997e-10 3.20186e-10 3.183538e-10 3.1640750000000003e-10 3.14332e-10 3.1210890000000003e-10 3.097155e-10 3.071237e-10 3.042974e-10 3.011901e-10 2.977396e-10 2.938605e-10 2.894312e-10 2.842692e-10 2.780833e-10 2.7036410000000005e-10 2.60092e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "cohesive-potential-energy" { "source-value" [ 0 0 0 0 0 0 0 0 0.0281025 0.353649 0.897442 1.49776 2.05543 2.5252 2.8946 3.16753 3.35465 3.46828 3.52004 3.53636 3.54828 3.5565 3.56127 3.56281 3.56207 3.55964 3.55516 3.54817 3.53809 3.52417 3.50542 3.48054 3.44777 3.40465 3.34771 3.27186 3.16933 3.02772 2.82604 2.52563 2.04698 1.24047 ] "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 4.5025168486032e-21 5.666081597692992e-20 1.4378605909239935e-19 2.3996760555694083e-19 3.2931618916909437e-19 4.0458164028441603e-19 4.637660446567681e-19 5.074942511682625e-19 5.374741800966721e-19 5.556797130388224e-19 5.639725792280832e-19 5.665873314732289e-19 5.684971260052224e-19 5.698141151875201e-19 5.705783534356416e-19 5.708250886352448e-19 5.707065275653056e-19 5.703171986464512e-19 5.695994235203328e-19 5.684795020623936e-19 5.668645080286272e-19 5.646342781724736e-19 5.616301970084736e-19 5.576439815759232e-19 5.523936487895616e-19 5.454850632006721e-19 5.3636226952183685e-19 5.242097598530689e-19 5.0778264296000645e-19 4.850942198328576e-19 4.5278152174456325e-19 4.0465053387911044e-19 3.279623499245184e-19 1.987452032803776e-19 ] } }