{ "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" [ 8.29599 7.740128 7.395627 7.145329 6.948624 6.786562 6.648748 6.528862 6.422771 6.327627 6.241379 6.162505 6.089843 6.022486 5.959712 5.900936 5.845679 5.793545 5.744198 5.697355 5.652775 5.61025 5.569597 5.53066 5.491296 5.450731 5.40889 5.365689 5.321038 5.274836 5.22697 5.177317 5.125737 5.072076 5.016159 4.957787 4.896734 4.832743 4.765516 4.694709 4.619919 4.540671 4.4564 4.366424 4.269917 4.165854 4.052951 3.929566 3.793551 3.642023 3.470982 3.274649 3.044225 2.76533 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.29599e-10 7.740128000000001e-10 7.395627e-10 7.145329e-10 6.948624e-10 6.786562e-10 6.648748000000001e-10 6.528862e-10 6.422771e-10 6.327627e-10 6.241379e-10 6.162505000000001e-10 6.089843e-10 6.022486e-10 5.959712e-10 5.900936e-10 5.845679e-10 5.793545000000001e-10 5.744198e-10 5.697355000000001e-10 5.652775000000001e-10 5.61025e-10 5.569597e-10 5.53066e-10 5.491296e-10 5.450731e-10 5.408890000000001e-10 5.365689e-10 5.321038e-10 5.274836e-10 5.226969999999999e-10 5.177317000000001e-10 5.125737000000001e-10 5.072076e-10 5.016159e-10 4.957787e-10 4.896734000000001e-10 4.832743e-10 4.765516e-10 4.694709e-10 4.6199190000000006e-10 4.5406709999999997e-10 4.456400000000001e-10 4.3664240000000005e-10 4.2699170000000007e-10 4.1658540000000004e-10 4.0529510000000003e-10 3.929566e-10 3.793551e-10 3.642023e-10 3.470982e-10 3.2746490000000004e-10 3.044225e-10 2.76533e-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" [ 0.796917 1.10822 1.34092 1.52707 1.68136 1.81592 1.93865 2.04032 2.12719 2.20281 2.26884 2.32645 2.37656 2.41994 2.45732 2.4893 2.51679 2.54093 2.5623 2.57986 2.59274 2.60127 2.60608 2.60761 2.606 2.60084 2.59156 2.57748 2.55776 2.53142 2.49729 2.45395 2.39969 2.33243 2.24962 2.14816 2.02423 1.87342 1.69084 1.46771 1.19213 0.851827 0.430669 -0.0896252 -0.744162 -1.58195 -2.66204 -4.07037 -5.92734 -8.46555 -12.0265 -17.1803 -24.9451 -37.2222 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.276801796637378e-19 1.77556418933148e-19 2.1483906920632797e-19 2.4466358724823798e-19 2.6938357053422396e-19 2.90942459321328e-19 3.1060597315041e-19 3.2689530298828796e-19 3.40813411407846e-19 3.52929071114154e-19 3.6350824342845595e-19 3.7273838301692995e-19 3.8076689012990397e-19 3.8771713236819595e-19 3.93706068626088e-19 3.9882982950161996e-19 4.0323421306848596e-19 4.07101867462962e-19 4.1052571892982e-19 4.1333914109912397e-19 4.1540274460371597e-19 4.1676940127251796e-19 4.17540048233472e-19 4.17785181258474e-19 4.1752723082039995e-19 4.167005076772559e-19 4.1521368776090397e-19 4.12957823060232e-19 4.09798330737984e-19 4.0557819748402795e-19 4.00109968632186e-19 3.9316613510042994e-19 3.8447272468434597e-19 3.73696484644062e-19 3.60428859937908e-19 3.4417317580934395e-19 3.2431740078418203e-19 3.00154974966828e-19 2.7090243398325597e-19 2.35153066748814e-19 1.9100028306904198e-19 1.364777315610318e-19 6.90007808788146e-20 -1.435954012575768e-20 -1.1922789683107079e-19 -2.5345633261563e-19 -4.26505828677336e-19 -6.5214517057345785e-19 -9.49664564977356e-19 -1.35633064039587e-18 -1.9268577288801e-18 -2.7525875225110198e-18 -3.99664563527934e-18 -5.9636539106074796e-18 ] } }