{ "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" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" ] } "a" { "source-value" [ 8.17475 7.627011 7.287544 7.040903 6.847074 6.68738 6.55158 6.433445 6.328905 6.23515 6.150163 6.072442 6.000842 5.934469 5.872612 5.814695 5.760246 5.708873 5.660247 5.614089 5.570161 5.528257 5.488198 5.44983 5.411041 5.37107 5.32984 5.287271 5.243272 5.197745 5.150579 5.101651 5.050826 4.997949 4.942849 4.88533 4.82517 4.762114 4.69587 4.626098 4.552401 4.474312 4.391272 4.302612 4.207515 4.104973 3.99372 3.872138 3.738112 3.588799 3.420258 3.226795 2.999739 2.72492 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.17475e-10 7.627011000000001e-10 7.287543999999999e-10 7.040903e-10 6.847074e-10 6.68738e-10 6.55158e-10 6.433445e-10 6.328905e-10 6.23515e-10 6.150163000000001e-10 6.072442e-10 6.000842e-10 5.934469e-10 5.872612000000001e-10 5.814695000000001e-10 5.760246000000001e-10 5.708872999999999e-10 5.660247e-10 5.614089e-10 5.570161e-10 5.528257e-10 5.488198e-10 5.44983e-10 5.411041e-10 5.37107e-10 5.32984e-10 5.287271e-10 5.243272e-10 5.197745e-10 5.150578999999999e-10 5.101651000000001e-10 5.050826e-10 4.997949e-10 4.942849e-10 4.88533e-10 4.82517e-10 4.762114000000001e-10 4.69587e-10 4.626098e-10 4.552401e-10 4.4743120000000005e-10 4.391272e-10 4.302612e-10 4.207515e-10 4.1049730000000005e-10 3.9937200000000006e-10 3.872138e-10 3.7381120000000005e-10 3.5887989999999997e-10 3.420258e-10 3.226795e-10 2.999739e-10 2.72492e-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" [ 0.809431 1.19641 1.52687 1.78302 1.9744 2.12095 2.23918 2.33851 2.42423 2.49894 2.5643 2.62172 2.67234 2.71695 2.75573 2.7888 2.8163 2.8386 2.8563 2.86995 2.87999 2.88682 2.89074 2.89199 2.89068 2.8865 2.87903 2.8678 2.85195 2.83038 2.80243 2.76773 2.7258 2.67506 2.61259 2.53471 2.43652 2.29213 2.0403 1.59841 0.851621 -0.341247 -1.97052 -4.10392 -6.87154 -10.4213 -14.9105 -20.5276 -27.5746 -36.4988 -47.958 -62.8648 -83.2841 -122.192 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.296851435035254e-19 1.91686014668394e-19 2.4463154371555797e-19 2.85671298195468e-19 3.1633375461695996e-19 3.3981365318823e-19 3.58756187532012e-19 3.7467060803753395e-19 3.88404466144182e-19 4.00374327776796e-19 4.1084615425661996e-19 4.2004585248904794e-19 4.28156070610356e-19 4.3530338057463e-19 4.415166215612819e-19 4.4681501968992e-19 4.5122100543342e-19 4.5479385932724e-19 4.5762971196942e-19 4.5981668307482995e-19 4.614252684153659e-19 4.62519555056388e-19 4.631476082969159e-19 4.633478803761659e-19 4.63137995237112e-19 4.624682854040999e-19 4.61271459458502e-19 4.5947221509852e-19 4.5693276513362995e-19 4.534768701340919e-19 4.48998786442062e-19 4.43439233522082e-19 4.367213068957199e-19 4.2859186265480403e-19 4.18583065222206e-19 4.0610531359661397e-19 3.9037354122736793e-19 3.6723971280904194e-19 3.2689209863501993e-19 2.56093515355194e-19 1.3644472672237139e-19 -5.46737969822598e-20 -3.1571211008296797e-19 -6.575204731805279e-19 -1.100942082759636e-18 -1.66967633559042e-18 -2.3889254701257e-18 -3.2888841072098397e-18 -4.4179379811896396e-18 -5.84775245290392e-18 -7.6837187013372e-18 -1.007205136610832e-17 -1.3343583900371939e-17 -1.9577316726172797e-17 ] } }