{ "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" [ "S" "S" "S" "S" "S" "S" "S" "S" ] } "a" { "source-value" [ 11.048 10.307742 9.84896 9.515631 9.253674 9.037852 8.854321 8.694665 8.553381 8.426673 8.311814 8.206776 8.110011 8.02031 7.936711 7.858437 7.784851 7.715421 7.649704 7.587323 7.527955 7.471322 7.417184 7.36533 7.330029 7.292876 7.253666 7.212158 7.168066 7.121046 7.070682 7.016461 6.957744 6.893716 6.823321 6.745151 6.657272 6.556927 6.439985 6.299846 6.124971 5.89226 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 1.1048e-09 1.0307742e-09 9.84896e-10 9.515631000000001e-10 9.253674000000001e-10 9.037852000000002e-10 8.854321000000001e-10 8.694665000000001e-10 8.553381e-10 8.426672999999999e-10 8.311814e-10 8.206776e-10 8.110011e-10 8.020310000000001e-10 7.936711e-10 7.858437000000001e-10 7.784851e-10 7.715421000000001e-10 7.649704e-10 7.587323e-10 7.527955e-10 7.471322e-10 7.417184e-10 7.365330000000001e-10 7.330028999999999e-10 7.292876e-10 7.253666e-10 7.212158e-10 7.168066e-10 7.121046e-10 7.070682e-10 7.016460999999999e-10 6.957744e-10 6.893716000000001e-10 6.823321e-10 6.745151000000001e-10 6.657272e-10 6.556927e-10 6.439985e-10 6.299845999999999e-10 6.124971e-10 5.89226e-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 2.33319e-22 3.01929e-05 0.00165849 0.00781641 0.0179306 0.0301353 0.0429939 0.0556409 0.067604 0.0786474 0.0886704 0.0976487 0.105599 0.112561 0.118583 0.123717 0.128019 0.131538 0.134324 0.136422 0.137875 0.138721 0.138995 0.138863 0.13843 0.137629 0.136379 0.134572 0.132072 0.128701 0.124221 0.118308 0.110513 0.100195 0.0864108 0.067713 0.0417724 0.004593 -0.0512855 -0.141557 -0.303882 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 3.738182469884353e-41 4.8374358494152324e-24 2.6571939038305925e-22 1.2523269360587327e-21 2.8727988116916482e-21 4.828207312079424e-21 6.888382141701313e-21 8.914654914027073e-21 1.083135482725632e-20 1.2600702556670593e-20 1.4206564183698432e-20 1.56450464191513e-20 1.691882489798592e-20 1.803426026138688e-20 1.899909102243264e-20 1.982164849955136e-20 2.051090488181952e-20 2.107471083467904e-20 2.1521077241233922e-20 2.185721389627776e-20 2.209001015928e-20 2.2225554301399682e-20 2.2269453940809602e-20 2.224830520941504e-20 2.2178930961734402e-20 2.205059661440832e-20 2.1850324536808322e-20 2.156081122142976e-20 2.1160267066229762e-20 2.0620173327358083e-20 1.990239820123968e-20 1.8955031165360642e-20 1.770613448944704e-20 1.6053008652105603e-20 1.3844536354462465e-20 1.084881855242304e-20 6.692676267470592e-21 7.3587972193344e-22 -8.216842908603841e-21 -2.267993159105856e-20 -4.868726358819456e-20 ] } }