{ "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" [ "Ni" "Ni" "Ni" "Ni" ] } "a" { "source-value" [ 5.28633 4.932126 4.712605 4.553111 4.427768 4.3245 4.236683 4.160289 4.092687 4.032059 3.977101 3.926841 3.88054 3.837619 3.797618 3.760165 3.724955 3.691734 3.660289 3.630441 3.602034 3.574936 3.549032 3.52422 3.507329 3.489552 3.470791 3.45093 3.429832 3.407334 3.383236 3.357292 3.329197 3.29856 3.264877 3.227474 3.185426 3.137412 3.081458 3.014403 2.930729 2.81938 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.286330000000001e-10 4.932126e-10 4.712605e-10 4.5531110000000004e-10 4.4277680000000006e-10 4.3245e-10 4.236683e-10 4.1602889999999997e-10 4.0926869999999997e-10 4.0320590000000003e-10 3.9771010000000005e-10 3.926841e-10 3.88054e-10 3.837619e-10 3.797618e-10 3.7601650000000003e-10 3.724955e-10 3.691734e-10 3.6602890000000004e-10 3.630441e-10 3.602034e-10 3.5749360000000003e-10 3.549032e-10 3.5242200000000003e-10 3.507329e-10 3.489552e-10 3.4707910000000003e-10 3.45093e-10 3.4298320000000003e-10 3.407334e-10 3.3832360000000004e-10 3.3572920000000004e-10 3.3291970000000003e-10 3.29856e-10 3.264877e-10 3.227474e-10 3.185426e-10 3.137412e-10 3.081458e-10 3.0144030000000004e-10 2.930729e-10 2.8193800000000005e-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" [ 1.21707 2.18216 2.7652 3.13273 3.3607 3.50614 3.61189 3.69683 3.77506 3.8538 3.93187 4.00724 4.07877 4.14573 4.20703 4.26188 4.30988 4.35092 4.38505 4.4124 4.43321 4.44773 4.45623 4.459 4.45755 4.45233 4.44177 4.4238 4.39631 4.35737 4.30461 4.23497 4.14446 4.02777 3.87765 3.68381 3.43108 3.09616 2.6353 1.96032 0.876359 -1.05519 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.9499610998770562e-19 3.4962057348449283e-19 4.430338791836161e-19 5.019186765278784e-19 5.38443496952256e-19 5.617455537251712e-19 5.7868857149013125e-19 5.922974597072064e-19 6.048312874117248e-19 6.174468261239041e-19 6.299550190024896e-19 6.420306241934593e-19 6.534909935620415e-19 6.642191682149185e-19 6.740405109004224e-19 6.828284496655104e-19 6.905188974453504e-19 6.970942302971137e-19 7.02562459103904e-19 7.06944412161792e-19 7.102785417096768e-19 7.126049021630785e-19 7.139667522907583e-19 7.1441055521472e-19 7.141782396047041e-19 7.133419034086465e-19 7.116500048970816e-19 7.08770893509504e-19 7.043665099789248e-19 6.981276342175297e-19 6.896745503661889e-19 6.785169923789375e-19 6.640156917840767e-19 6.453198927959617e-19 6.21268017364512e-19 5.902114257469248e-19 5.497196160094464e-19 4.960595166256128e-19 4.22221604879424e-19 3.140778873286656e-19 1.4040819012276673e-19 -1.6906007485019523e-19 ] } }