{ "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 5.399685 5.372317 5.343433 5.312856 5.280375 5.245738 5.208637 5.168695 5.125441 5.078275 5.026418 4.968834 4.904098 4.830179 4.744033 4.640799 4.511977 4.34055 ] "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 5.399685e-10 5.372317e-10 5.343433000000001e-10 5.312856e-10 5.280375e-10 5.245738000000001e-10 5.208637e-10 5.168694999999999e-10 5.125441e-10 5.078275e-10 5.026418e-10 4.968834e-10 4.904098e-10 4.830179e-10 4.744033000000001e-10 4.6407990000000003e-10 4.511977e-10 4.3405500000000006e-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 6.02564 6.02218 6.01582 6.00594 5.99177 5.9723 5.94624 5.91186 5.86688 5.80813 5.73114 5.62946 5.49331 5.3073 5.07732 4.68907 4.07828 3.01314 ] "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 9.65413961289576e-19 9.648596081742119e-19 9.638406238349879e-19 9.62257673320596e-19 9.59987389030218e-19 9.568679511238199e-19 9.526926788156161e-19 9.47184395547924e-19 9.39977805048192e-19 9.30565017323442e-19 9.182298594182758e-19 9.019389274037639e-19 8.80125292531854e-19 8.503232049628199e-19 8.13476346734088e-19 7.51271838919038e-19 6.53412492290952e-19 4.82758250297076e-19 ] } }