{ "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" [ "Mg" "Mg" "Mg" "Mg" ] } "a" { "source-value" [ 6.77763 6.323504 6.042054 5.837567 5.676864 5.544463 5.431872 5.333928 5.247254 5.169523 5.09906 5.034623 4.97526 4.920231 4.868945 4.820927 4.775784 4.733191 4.692875 4.654606 4.618185 4.583443 4.550231 4.51842 4.496764 4.473972 4.449918 4.424454 4.397405 4.36856 4.337663 4.3044 4.268379 4.2291 4.185915 4.13796 4.08405 4.022492 3.950751 3.864781 3.757501 3.61474 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.777630000000001e-10 6.323504e-10 6.042054e-10 5.837567e-10 5.676864e-10 5.544463e-10 5.431872e-10 5.333928e-10 5.247254e-10 5.169523e-10 5.09906e-10 5.034623e-10 4.97526e-10 4.920231000000001e-10 4.868945e-10 4.820927000000001e-10 4.775784e-10 4.733191e-10 4.692875e-10 4.6546060000000005e-10 4.6181850000000005e-10 4.583443e-10 4.5502310000000005e-10 4.51842e-10 4.496764e-10 4.473972e-10 4.4499180000000004e-10 4.424454e-10 4.3974050000000003e-10 4.3685600000000005e-10 4.337663e-10 4.3044e-10 4.2683790000000005e-10 4.2291e-10 4.1859149999999996e-10 4.1379599999999997e-10 4.0840500000000005e-10 4.022492e-10 3.950751e-10 3.864781e-10 3.757501e-10 3.61474e-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" [ 0.372722 0.539875 0.67452 0.787695 0.884957 0.969659 1.04406 1.10975 1.16792 1.21951 1.26523 1.30568 1.34135 1.37264 1.39992 1.42349 1.4436 1.46048 1.47434 1.48536 1.49369 1.49949 1.50288 1.50399 1.50345 1.50169 1.49842 1.49329 1.48584 1.47548 1.46144 1.44266 1.41772 1.38462 1.3405 1.28109 1.19984 1.08614 0.921741 0.672508 0.266805 -0.47459 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 5.971664744578177e-20 8.649751031544001e-20 1.0807001742620161e-19 1.262026513321056e-19 1.4178574158133057e-19 1.5535649799483074e-19 1.672768522712448e-19 1.7780155049328002e-19 1.8712141189647362e-19 1.9538704108318083e-19 2.0271219259347843e-19 2.091929970246144e-19 2.1490796103100803e-19 2.1992117167749124e-19 2.2429190949903364e-19 2.280682397942592e-19 2.3129021697868803e-19 2.3399469111459843e-19 2.362153079110272e-19 2.3798090654714883e-19 2.393155196722752e-19 2.402447821123392e-19 2.407879199867904e-19 2.409657615916992e-19 2.4087924405417603e-19 2.405972609689152e-19 2.400733492139136e-19 2.3925143260744323e-19 2.380578110249472e-19 2.363979560457984e-19 2.341485000701952e-19 2.3113961237633284e-19 2.2714378388405763e-19 2.218405792692096e-19 2.1477177601824001e-19 2.0525324471406723e-19 1.922355596700672e-19 1.7401881149157122e-19 1.476791880632813e-19 1.0774765949009665e-19 4.27468733312544e-20 -7.60377002465472e-20 ] } }