{ "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" [ "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" ] } "a" { "source-value" [ 8.44734 7.881337 7.530551 7.275686 7.075393 6.910375 6.770047 6.647973 6.539947 6.443066 6.355245 6.274932 6.200945 6.132359 6.068439 6.008591 5.952327 5.899241 5.848993 5.801296 5.755903 5.712602 5.671208 5.63156 5.604569 5.576162 5.546182 5.514445 5.480732 5.44478 5.406272 5.364815 5.319919 5.270964 5.21714 5.157371 5.090179 5.013455 4.924041 4.816891 4.683181 4.50525 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.447340000000001e-10 7.881337000000001e-10 7.530551000000001e-10 7.275686000000001e-10 7.075393e-10 6.910375000000001e-10 6.770047e-10 6.647973000000001e-10 6.539947e-10 6.443066e-10 6.355245e-10 6.274932e-10 6.200945000000001e-10 6.132359000000001e-10 6.068438999999999e-10 6.008591000000001e-10 5.952327000000001e-10 5.899241e-10 5.848993e-10 5.801296e-10 5.755903000000001e-10 5.712602e-10 5.671208e-10 5.63156e-10 5.604569e-10 5.576162e-10 5.546182e-10 5.514445e-10 5.480732e-10 5.444779999999999e-10 5.406272000000001e-10 5.364815000000001e-10 5.319919e-10 5.270964000000001e-10 5.21714e-10 5.157371e-10 5.090179e-10 5.013455e-10 4.924041e-10 4.816891e-10 4.683181e-10 4.5052500000000005e-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" [ 0.851597 0.949436 1.0663 1.19709 1.33408 1.47165 1.60505 1.73026 1.84412 1.94495 2.03293 2.10928 2.17548 2.2329 2.28261 2.32537 2.36166 2.39186 2.41627 2.43528 2.44932 2.45883 2.46424 2.46596 2.46516 2.46257 2.45789 2.45076 2.44074 2.42731 2.4098 2.38734 2.35882 2.32287 2.27777 2.22131 2.15044 2.06056 1.9439 1.78623 1.55828 1.18227 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.3644088037434177e-19 1.5211641621458688e-19 1.7084009307590402e-19 1.9179496109934721e-19 2.137431786276864e-19 2.35784322400032e-19 2.5715735852150403e-19 2.772182119905408e-19 2.954605949949696e-19 3.1161534186249603e-19 3.2571129177229443e-19 3.379439102721024e-19 3.485503195017984e-19 3.57750017658432e-19 3.6571443764042883e-19 3.7256534487096963e-19 3.7837964382785283e-19 3.832182172226688e-19 3.871291303540416e-19 3.9017486811018244e-19 3.9242432408578566e-19 3.939479940521664e-19 3.9481477160401928e-19 3.950903459827968e-19 3.949621718531328e-19 3.945472081083456e-19 3.937973894498112e-19 3.926550375191808e-19 3.910496565451392e-19 3.888979333434048e-19 3.8609252208038406e-19 3.824940333900672e-19 3.7792462566754566e-19 3.721648007157696e-19 3.649389841559616e-19 3.558930949549248e-19 3.4453846924331523e-19 3.3013810577556485e-19 3.1144711331731203e-19 2.861855945371584e-19 2.4966397846602246e-19 1.894205353473216e-19 ] } }