{ "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" [ "Cu" "Cu" "Cu" "Cu" ] } "a" { "source-value" [ 5.43 5.06617 4.840683 4.676854 4.548105 4.44203 4.351826 4.273356 4.203916 4.141641 4.085189 4.033563 3.986004 3.941917 3.900829 3.862358 3.826191 3.792067 3.759767 3.729108 3.699929 3.672094 3.645486 3.62 3.60265 3.58439 3.565118 3.544718 3.523047 3.499937 3.475183 3.448534 3.419675 3.388206 3.353608 3.315188 3.271996 3.222678 3.165202 3.096325 3.010375 2.896 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.43e-10 5.06617e-10 4.840683e-10 4.676853999999999e-10 4.5481049999999996e-10 4.44203e-10 4.351826e-10 4.273356e-10 4.203916000000001e-10 4.141641e-10 4.085189e-10 4.033563e-10 3.986004e-10 3.9419170000000004e-10 3.900829e-10 3.862358e-10 3.8261910000000004e-10 3.792067e-10 3.759767e-10 3.729108e-10 3.6999290000000003e-10 3.6720940000000003e-10 3.645486e-10 3.6200000000000004e-10 3.6026500000000005e-10 3.58439e-10 3.565118e-10 3.544718e-10 3.523047e-10 3.4999370000000004e-10 3.475183e-10 3.448534e-10 3.419675e-10 3.388206e-10 3.353608e-10 3.3151880000000004e-10 3.2719960000000005e-10 3.2226780000000004e-10 3.165202e-10 3.096325e-10 3.010375e-10 2.896e-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" [ 0.977746 1.39801 1.72079 1.98436 2.20628 2.39655 2.56156 2.7057 2.83217 2.94339 3.04125 3.12726 3.20265 3.26844 3.3255 3.37454 3.41621 3.45104 3.47953 3.50209 3.51909 3.53089 3.53776 3.54 3.53892 3.53537 3.52881 3.51854 3.50366 3.48303 3.45514 3.41795 3.36873 3.30362 3.21716 3.10124 2.94346 2.72386 2.40829 1.93337 1.16724 -0.21641 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.566521795186964e-19 2.2398589560983397e-19 2.75700953002086e-19 3.1792952254442397e-19 3.53485026406152e-19 3.8396964122127e-19 4.10407157858904e-19 4.3350093186138e-19 4.53763659751578e-19 4.715830682749259e-19 4.8726196881525e-19 5.0104229004428395e-19 5.1312109968801e-19 5.23661819763096e-19 5.328038396366999e-19 5.40660913849836e-19 5.47337183883714e-19 5.52917565099936e-19 5.57482166330202e-19 5.61096676816506e-19 5.638203770943059e-19 5.657109455224259e-19 5.668116408699839e-19 5.67170528436e-19 5.66997493359528e-19 5.66428720654458e-19 5.65377692782554e-19 5.637322573794359e-19 5.61348218548044e-19 5.58042928152102e-19 5.53574457519876e-19 5.476159626180299e-19 5.397300492254819e-19 5.29298277161508e-19 5.154458579839439e-19 4.96873426442616e-19 4.71594283511364e-19 4.36410484628724e-19 3.8585059658958596e-19 3.09760023887658e-19 1.87012465427016e-19 -3.4672704536393996e-20 ] } }