{ "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 7.312908 7.258887 7.203166 7.145635 7.086171 7.024642 6.960898 6.894774 6.826084 6.754623 6.680156 6.60242 6.521114 6.435896 6.346369 6.252073 6.152474 6.046937 5.93471 5.814888 5.686366 5.547783 5.397427 5.233112 5.051978 4.850184 4.622405 4.360944 4.054082 3.68267 ] "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 7.312908e-10 7.258887e-10 7.203166000000001e-10 7.145635e-10 7.086171000000001e-10 7.024642000000001e-10 6.960898000000001e-10 6.894774e-10 6.826084e-10 6.754623e-10 6.680156000000001e-10 6.602420000000001e-10 6.521114e-10 6.435896e-10 6.346369e-10 6.252073e-10 6.152474e-10 6.046937e-10 5.93471e-10 5.814888e-10 5.686366e-10 5.547783e-10 5.397427000000001e-10 5.233112e-10 5.051978e-10 4.850184e-10 4.622405e-10 4.360944e-10 4.0540820000000005e-10 3.68267e-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 0.138702 0.137757 0.136051 0.133455 0.129817 0.124956 0.118655 0.110653 0.100636 0.0882185 0.0729265 0.0541732 0.031223 0.00314567 -0.0312506 -0.0735117 -0.125669 -0.19039 -0.270596 -0.368328 -0.485314 -0.626272 -0.803441 -1.04202 -1.38764 -1.90925 -2.73535 -4.19413 -7.12124 -13.8394 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 3.7381825006824603e-41 4.83743588926986e-24 2.65719392572266e-22 1.2523269463763938e-21 2.87279883536004e-21 4.82820735185802e-21 6.88838219845326e-21 8.91465498747306e-21 1.08313549164936e-20 1.260070266048516e-20 1.4206564300743358e-20 1.564504654804758e-20 1.69188250373766e-20 1.8034260409967398e-20 1.8999091178962197e-20 1.9821648662857798e-20 2.0510905050804598e-20 2.1074711008309196e-20 2.1521077418541598e-20 2.1857214076354796e-20 2.2090010341275e-20 2.22255544845114e-20 2.2269454124283e-20 2.2222510348906796e-20 2.2071104656993797e-20 2.17977733232334e-20 2.1381848269046997e-20 2.0798976409597796e-20 2.0020158347810398e-20 1.9010626850727e-20 1.7728565108200198e-20 1.61236647739224e-20 1.41341619386529e-20 1.16841134299401e-20 8.679503522900879e-21 5.0024761043382e-21 5.03991897227478e-22 -5.00689811184804e-21 -1.177787280656178e-20 -2.0134393541814598e-20 -3.0503840934726e-20 -4.33542588453864e-20 -5.901265152479519e-20 -7.77558750953076e-20 -1.003398364928448e-19 -1.2872543969975938e-19 -1.6695000961606797e-19 -2.22324438440376e-19 -3.0589557384644996e-19 -4.382513855811899e-19 -6.71973708595842e-19 -1.140948433310616e-18 -2.2173163308579596e-18 ] } }