{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Cu" "Cu" ] } "a" { "source-value" [ 4.44107 4.143501 3.95908 3.825088 3.719787 3.63303 3.559255 3.495076 3.438283 3.387349 3.341178 3.298955 3.260057 3.223999 3.190394 3.158929 3.129349 3.10144 3.075023 3.049947 3.026082 3.003317 2.981554 2.96071 2.94652 2.931585 2.915824 2.899138 2.881414 2.862514 2.842268 2.820473 2.79687 2.771132 2.742835 2.711412 2.676087 2.635751 2.588743 2.53241 2.462115 2.36857 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.44107e-10 4.143501e-10 3.95908e-10 3.8250880000000004e-10 3.7197870000000004e-10 3.6330300000000005e-10 3.559255e-10 3.4950760000000003e-10 3.438283e-10 3.387349e-10 3.3411780000000005e-10 3.298955e-10 3.260057e-10 3.223999e-10 3.1903940000000003e-10 3.1589290000000003e-10 3.129349e-10 3.10144e-10 3.075023e-10 3.049947e-10 3.0260820000000005e-10 3.003317e-10 2.981554e-10 2.9607100000000005e-10 2.9465200000000003e-10 2.9315850000000004e-10 2.9158240000000003e-10 2.899138e-10 2.881414e-10 2.862514e-10 2.8422679999999997e-10 2.820473e-10 2.79687e-10 2.771132e-10 2.742835e-10 2.7114120000000003e-10 2.676087e-10 2.635751e-10 2.5887430000000003e-10 2.53241e-10 2.462115e-10 2.36857e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0.424612 0.868946 1.17368 1.47135 1.74047 1.97785 2.18627 2.36933 2.53032 2.67218 2.79739 2.90807 3.00602 3.09273 3.16951 3.23745 3.29749 3.35016 3.39504 3.43176 3.46018 3.4803 3.49223 3.49616 3.49425 3.48827 3.47822 3.46421 3.44652 3.42567 3.40233 3.37596 3.34494 3.30687 3.25816 3.19331 3.10358 2.97328 2.76399 2.39248 1.69115 0.534604 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 6.803034193111296e-20 1.3922049659376769e-19 1.8804426563005443e-19 2.35736257101408e-19 2.7885403432037763e-19 3.1688650294492804e-19 3.502790680756416e-19 3.796085132960064e-19 4.0540195471426565e-19 4.2813043225693444e-19 4.481912857259713e-19 4.659241765649856e-19 4.816174965657216e-19 4.955099700446785e-19 5.078114821391808e-19 5.186966701008961e-19 5.283161385321792e-19 5.367548027939328e-19 5.439453714680832e-19 5.498285640196609e-19 5.543819499759744e-19 5.57605529337024e-19 5.5951692604563845e-19 5.601465814576128e-19 5.5984056572304e-19 5.588824641038017e-19 5.572722765998976e-19 5.550276271541568e-19 5.521933767119616e-19 5.488528384575937e-19 5.451133582246465e-19 5.408884184755968e-19 5.359184665978752e-19 5.298189802024896e-19 5.220147778825729e-19 5.116246624966848e-19 4.972483316782464e-19 4.763719703092224e-19 4.428400158124993e-19 3.833175521731584e-19 2.70952099226592e-19 8.565300301861632e-20 ] } }