{ "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" [ "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" ] } "a" { "source-value" [ 8.26281 7.709171 7.366048 7.116751 6.920833 6.759419 6.622157 6.50275 6.397083 6.302319 6.216416 6.137858 6.065487 5.998399 5.935876 5.877335 5.8223 5.770373 5.721224 5.674568 5.630167 5.587812 5.547322 5.50854 5.482138 5.454352 5.425027 5.393983 5.361006 5.32584 5.288173 5.247621 5.203706 5.15582 5.103171 5.044707 4.978983 4.903935 4.816474 4.711664 4.580875 4.40683 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.262810000000001e-10 7.709171000000001e-10 7.366048e-10 7.116751000000001e-10 6.920833000000001e-10 6.759419e-10 6.622157e-10 6.50275e-10 6.397083e-10 6.302319e-10 6.216416e-10 6.137858e-10 6.065487e-10 5.998399e-10 5.935876000000001e-10 5.877335000000001e-10 5.822300000000001e-10 5.770373000000001e-10 5.721224e-10 5.674568e-10 5.630167000000001e-10 5.587812e-10 5.547322000000001e-10 5.50854e-10 5.482138e-10 5.454352000000001e-10 5.425027000000001e-10 5.393983000000001e-10 5.361006e-10 5.325840000000001e-10 5.288173e-10 5.247621e-10 5.203706e-10 5.15582e-10 5.103171e-10 5.044707e-10 4.978983000000001e-10 4.903935e-10 4.816474000000001e-10 4.711664e-10 4.580875e-10 4.4068300000000005e-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" [ 0.507479 0.684076 0.816382 0.922494 1.01072 1.08676 1.15246 1.20968 1.26025 1.30468 1.34374 1.37804 1.40807 1.43424 1.45708 1.47675 1.49344 1.50736 1.51868 1.52797 1.535 1.53989 1.54275 1.54368 1.54323 1.54175 1.53899 1.53466 1.52838 1.51986 1.50837 1.49292 1.47233 1.44491 1.40844 1.35913 1.29138 1.19604 1.05751 0.846042 0.498877 -0.144213 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 8.130709893469633e-20 1.096010574050381e-19 1.3079881540419459e-19 1.4779983196282755e-19 1.619351954174976e-19 1.741181464420608e-19 1.846444468407168e-19 1.9381210146493442e-19 2.0191430863632003e-19 2.0903277936253443e-19 2.152908812433792e-19 2.2078634705272323e-19 2.255976834449856e-19 2.297905796616192e-19 2.3344995106352643e-19 2.3660143247664e-19 2.3927546525675524e-19 2.415056951129088e-19 2.433193590476544e-19 2.448077811283776e-19 2.459341112928e-19 2.467175756603712e-19 2.4717579817392e-19 2.473248005996544e-19 2.4725270265171844e-19 2.4701558051184002e-19 2.465733797644992e-19 2.458796372876928e-19 2.4487347036983043e-19 2.435084158889088e-19 2.416675149516096e-19 2.391921520724736e-19 2.358932704102464e-19 2.315001021160128e-19 2.256569639799552e-19 2.177566310627904e-19 2.0690188445687041e-19 1.9162673255416322e-19 1.694317798262208e-19 1.3555087126148735e-19 7.992890660548416e-20 -2.3105469701543042e-20 ] } }