{ "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" [ "Si" "Si" "Si" "Si" ] } "a" { "source-value" [ 5.98951 5.588191 5.33947 5.158761 5.016745 4.899741 4.800242 4.713687 4.637092 4.5684 4.506131 4.449186 4.396727 4.348097 4.302775 4.26034 4.220446 4.182806 4.147179 4.11336 4.081174 4.050472 4.021122 3.99301 3.96459 3.935303 3.905095 3.873905 3.841668 3.80831 3.773752 3.737904 3.700664 3.661922 3.621551 3.579407 3.535329 3.489128 3.440592 3.389471 3.335474 3.278259 3.217417 3.152456 3.08278 3.007649 2.926135 2.837054 2.738854 2.629454 2.505966 2.364218 2.197857 1.9965 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.98951e-10 5.588191000000001e-10 5.339470000000001e-10 5.158761000000001e-10 5.016745000000001e-10 4.899741e-10 4.800242e-10 4.713687e-10 4.637092e-10 4.5684e-10 4.506131e-10 4.449186e-10 4.3967270000000003e-10 4.3480970000000003e-10 4.3027749999999997e-10 4.2603400000000006e-10 4.220446e-10 4.1828060000000006e-10 4.1471790000000004e-10 4.11336e-10 4.081174e-10 4.050472e-10 4.021122e-10 3.99301e-10 3.96459e-10 3.9353030000000003e-10 3.905095e-10 3.8739050000000005e-10 3.841668e-10 3.8083100000000003e-10 3.773752e-10 3.737904e-10 3.7006640000000004e-10 3.6619220000000003e-10 3.621551e-10 3.5794069999999997e-10 3.535329e-10 3.489128e-10 3.440592e-10 3.389471e-10 3.335474e-10 3.278259e-10 3.2174170000000004e-10 3.152456e-10 3.0827800000000003e-10 3.007649e-10 2.926135e-10 2.8370540000000003e-10 2.738854e-10 2.629454e-10 2.505966e-10 2.364218e-10 2.197857e-10 1.9965e-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" [ 0 0 0 0 0.000910864 0.820115 1.9152 2.63352 3.02111 3.19781 3.32907 3.44591 3.54955 3.64099 3.72112 3.79067 3.85031 3.9006 3.94207 3.97517 4.00032 4.01788 4.02819 4.03156 4.02791 4.01606 3.99445 3.96123 3.91418 3.8506 3.76723 3.66009 3.5243 3.35383 3.1412 2.87703 2.53292 1.86074 0.796803 -0.55911 -2.07413 -3.62648 -5.17157 -7.06066 -9.47473 -12.6039 -16.7293 -24.8648 -40.3849 -55.8893 -75.2373 -110.33 -165.934 -278.488 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 0.0 0.0 0.0 1.4593650175517759e-22 1.31396909019291e-19 3.0684886894367996e-19 4.2193642091716797e-19 4.84035185074374e-19 5.12345646197154e-19 5.33375816695038e-19 5.52095648486694e-19 5.687006071214699e-19 5.83350910262766e-19 5.961891516310079e-19 6.073322901204779e-19 6.168876715656539e-19 6.249450178580399e-19 6.31589244359238e-19 6.368924490177779e-19 6.40921923252288e-19 6.437353454215919e-19 6.45387189531246e-19 6.45927123056904e-19 6.45342328585494e-19 6.434437492742041e-19 6.3998144556813e-19 6.34659014789982e-19 6.271207737270119e-19 6.169341346880399e-19 6.035767880903819e-19 5.864110676337059e-19 5.6465511112062e-19 5.3734280604082195e-19 5.0327572427208e-19 4.609510241317019e-19 4.0581852397912797e-19 2.98123414994916e-19 1.276619148501102e-19 -8.957929778357399e-20 -3.3231226218784195e-19 -5.81026151966832e-19 -8.28576861509538e-19 -1.131242447261844e-18 -1.5180191019458817e-18 -2.01936740772726e-18 -2.6803293563176194e-18 -3.98378015690832e-18 -6.47037431464266e-18 -8.954453055061619e-18 -1.205434440652482e-17 -1.7676814802921997e-17 -2.6585557758615598e-17 -4.46186966449392e-17 ] } }