{ "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" [ "Al" "Al" "Al" "Al" "Al" "Al" "Al" "Al" ] } "a" { "source-value" [ 9.31641 8.692176 8.305301 8.024215 7.803316 7.62132 7.466555 7.331923 7.212783 7.105935 7.009078 6.920503 6.838904 6.763262 6.692766 6.626761 6.564707 6.50616 6.450743 6.398139 6.348076 6.30032 6.254667 6.21094 6.181172 6.149842 6.116778 6.081775 6.044594 6.004944 5.962473 5.916751 5.867236 5.813244 5.753882 5.687964 5.613859 5.529241 5.430628 5.312454 5.164988 4.96875 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.31641e-10 8.692176e-10 8.305301000000001e-10 8.024215e-10 7.803316e-10 7.621320000000001e-10 7.466555e-10 7.331923e-10 7.212783e-10 7.105935e-10 7.009078e-10 6.920503e-10 6.838904e-10 6.763262e-10 6.692766e-10 6.626761e-10 6.564707e-10 6.50616e-10 6.450743000000001e-10 6.398139e-10 6.348076e-10 6.300320000000001e-10 6.254667000000001e-10 6.21094e-10 6.181172000000001e-10 6.149842e-10 6.116778e-10 6.081775000000001e-10 6.044594e-10 6.004944e-10 5.962473000000001e-10 5.916751e-10 5.867236e-10 5.813244000000001e-10 5.753882000000001e-10 5.687964e-10 5.613859e-10 5.529241000000001e-10 5.430627999999999e-10 5.312454e-10 5.164988000000001e-10 4.96875e-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" [ 0.830807 1.48095 1.65825 1.79316 1.90106 1.98991 2.06446 2.12778 2.18201 2.2287 2.269 2.30383 2.33388 2.35973 2.38186 2.40065 2.41643 2.42948 2.44005 2.44834 2.45453 2.45879 2.46126 2.46205 2.46167 2.46043 2.45813 2.45456 2.44943 2.44235 2.43285 2.42028 2.40377 2.38213 2.35363 2.31579 2.26492 2.19507 2.09621 1.95004 1.71923 1.31347 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.331099562763638e-19 2.3727434861223e-19 2.6568094033305e-19 2.87295905302344e-19 3.0458339118320397e-19 3.18818730576294e-19 3.30762957382764e-19 3.4090793982925196e-19 3.49596543715434e-19 3.5707710641957994e-19 3.635338782546e-19 3.69114259470822e-19 3.73928800255992e-19 3.7807042685488197e-19 3.81616043745924e-19 3.8462653364121e-19 3.87154768369662e-19 3.8924560887703196e-19 3.9093910957916993e-19 3.92267314008756e-19 3.9325906134520197e-19 3.93941588591286e-19 3.9433732621988396e-19 3.9446389817397e-19 3.9440301546187796e-19 3.94204345559262e-19 3.93835844933442e-19 3.9326386787510395e-19 3.9244195126186195e-19 3.9130761020498996e-19 3.8978554240269e-19 3.8777160637375195e-19 3.85126412751018e-19 3.81659302515042e-19 3.77093099108142e-19 3.7103046272508595e-19 3.62880190187928e-19 3.5168898639943797e-19 3.35849868195714e-19 3.1243085233653596e-19 2.7545101344718197e-19 2.1044109434599796e-19 ] } }