{ "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" [ "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" "Nb" ] } "a" { "source-value" [ 8.13854 7.593227 7.255264 7.009716 6.816745 6.657758 6.52256 6.404948 6.300871 6.207532 6.122921 6.045544 5.974261 5.908183 5.846599 5.788939 5.734731 5.683586 5.635175 5.589222 5.545488 5.503769 5.463888 5.42569 5.387073 5.347278 5.306231 5.263851 5.220047 5.174722 5.127764 5.079054 5.028453 4.975811 4.920955 4.86369 4.803797 4.74102 4.67507 4.605607 4.532237 4.454493 4.371821 4.283553 4.188878 4.08679 3.97603 3.854987 3.721554 3.572902 3.405108 3.212502 2.986451 2.71285 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.138540000000001e-10 7.593227e-10 7.255264000000001e-10 7.009716e-10 6.816745000000001e-10 6.657758000000001e-10 6.52256e-10 6.404948e-10 6.300871e-10 6.207531999999999e-10 6.122921e-10 6.045544e-10 5.974261000000001e-10 5.908183e-10 5.846599000000001e-10 5.788939000000001e-10 5.734731e-10 5.683586000000001e-10 5.635175000000001e-10 5.589222e-10 5.545488e-10 5.503769000000001e-10 5.463888e-10 5.42569e-10 5.387073000000001e-10 5.347278e-10 5.306231e-10 5.263851e-10 5.220047e-10 5.174722000000001e-10 5.127764000000001e-10 5.079054e-10 5.028453e-10 4.975811e-10 4.920955e-10 4.86369e-10 4.803797000000001e-10 4.74102e-10 4.67507e-10 4.6056070000000003e-10 4.5322370000000005e-10 4.4544930000000003e-10 4.371821e-10 4.2835530000000006e-10 4.188878e-10 4.0867899999999997e-10 3.9760300000000003e-10 3.854987e-10 3.721554e-10 3.5729020000000003e-10 3.405108e-10 3.212502e-10 2.9864510000000004e-10 2.71285e-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" [ 1.60772 2.67588 3.37877 3.8732 4.24638 4.54109 4.78071 4.97935 5.14616 5.28747 5.4078 5.51056 5.59834 5.67319 5.73674 5.79033 5.83507 5.87187 5.91643 5.979 6.00529 6.01755 6.02448 6.02671 6.02435 6.01683 6.00336 5.98305 5.95484 5.91748 5.86951 5.80918 5.73442 5.64272 5.53108 5.39583 5.2419 5.06734 4.82751 4.53677 4.18434 3.75554 3.23122 2.58592 1.78534 0.782164 -0.490225 -2.1283 -4.27623 -7.1579 -11.1377 -16.8452 -25.4541 -39.3937 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.57585141801448e-19 4.2872324113879194e-19 5.413386345660179e-19 6.2055505388088e-19 6.8034508150849195e-19 7.2756282908910585e-19 7.659541855930139e-19 7.9777982225079e-19 8.245057306825439e-19 8.471460886975979e-19 8.664250801345199e-19 8.82889047225504e-19 8.96952953718756e-19 9.08945245824246e-19 9.19127078333316e-19 9.27713142914922e-19 9.348812811754379e-19 9.40777291188558e-19 9.47916590269662e-19 9.579414094686e-19 9.621535318393858e-19 9.6411780039267e-19 9.652281088000318e-19 9.655853941894139e-19 9.6520728050379e-19 9.640024436750218e-19 9.618443117490239e-19 9.5859029100537e-19 9.540705507208559e-19 9.48084818816232e-19 9.40399177502934e-19 9.307332458700119e-19 9.187553733542279e-19 9.040634136204479e-19 8.861767136784719e-19 8.6450727470362195e-19 8.3984496977646e-19 8.118773744533559e-19 7.73452372240134e-19 7.268706887832179e-19 6.7040517767115595e-19 6.01703843605236e-19 5.17698518331348e-19 4.14310060139328e-19 2.86043003174556e-19 1.2531648847559758e-19 -7.8542704040265e-20 -3.4099125301421994e-19 -6.85127578760982e-19 -1.1468220128508598e-18 -1.78445626965018e-18 -2.6988985835056795e-18 -4.07819642594994e-18 -6.31156656668058e-18 ] } }