{ "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" [ "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" ] } "a" { "source-value" [ 7.49634 6.994058 6.682763 6.456591 6.278847 6.132406 6.007876 5.899545 5.803681 5.717707 5.639772 5.568501 5.502844 5.441979 5.385256 5.332145 5.282215 5.235105 5.190515 5.148187 5.107905 5.069478 5.032744 4.99756 4.973607 4.948398 4.921794 4.89363 4.863712 4.831808 4.797635 4.760845 4.721004 4.67756 4.629795 4.576755 4.517127 4.449041 4.369694 4.274606 4.15595 3.99805 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.496340000000001e-10 6.994058e-10 6.682763e-10 6.456591e-10 6.278847000000001e-10 6.132406e-10 6.007876000000001e-10 5.899545e-10 5.803681e-10 5.717707e-10 5.639772e-10 5.568501e-10 5.502843999999999e-10 5.441979e-10 5.385256e-10 5.332144999999999e-10 5.282215e-10 5.235105e-10 5.190515e-10 5.148187e-10 5.107905e-10 5.069478e-10 5.032744e-10 4.99756e-10 4.973607e-10 4.948398000000001e-10 4.921794000000001e-10 4.89363e-10 4.863712e-10 4.831808e-10 4.797635e-10 4.760845e-10 4.721004e-10 4.67756e-10 4.629795e-10 4.5767550000000003e-10 4.5171270000000007e-10 4.4490410000000005e-10 4.369694e-10 4.2746060000000003e-10 4.15595e-10 3.9980500000000005e-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" [ 0.84353 1.10848 1.30274 1.48817 1.69506 1.89298 2.06977 2.21739 2.33802 2.43763 2.52272 2.60126 2.67601 2.74619 2.81066 2.86871 2.92006 2.96476 3.00302 3.03517 3.06158 3.0825 3.09668 3.10169 3.09923 3.09131 3.0772 3.05628 3.02782 2.99102 2.94482 2.88784 2.81829 2.73415 2.63296 2.51084 2.36118 2.17309 1.92768 1.58665 1.09399 0.313264 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.351484044943424e-19 1.775980740624384e-19 2.0872195709809922e-19 2.384311181775936e-19 2.715785502853248e-19 3.0328882996419843e-19 3.3161371044332166e-19 3.552650417195712e-19 3.7459209829628164e-19 3.905513796160704e-19 4.041843004824576e-19 4.167677956622208e-19 4.2874406590270085e-19 4.399881414274752e-19 4.503173741017728e-19 4.596180093855168e-19 4.678451863333248e-19 4.750069158283008e-19 4.811368435794816e-19 4.862878414153536e-19 4.905191898708865e-19 4.938709433616e-19 4.961428298098944e-19 4.969455202969153e-19 4.965513848481984e-19 4.952824609645248e-19 4.93021789752576e-19 4.896700362618624e-19 4.851102415990657e-19 4.792142316345216e-19 4.718121756464256e-19 4.626829732611073e-19 4.515398348634433e-19 4.380591207760321e-19 4.2184669555015685e-19 4.0228091465694724e-19 3.783027393500544e-19 3.4816739928942723e-19 3.088483828383744e-19 2.54209353539232e-19 1.7527652013889922e-19 5.019042569382912e-20 ] } }