{ "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" [ "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" ] } "a" { "source-value" [ 8.07548 7.534392 7.199048 6.955402 6.763926 6.606172 6.472021 6.355321 6.25205 6.159434 6.075478 5.998701 5.927971 5.862404 5.801298 5.744084 5.690297 5.639547 5.591512 5.545915 5.50252 5.461124 5.421552 5.38365 5.345332 5.305846 5.265117 5.223065 5.179601 5.134626 5.088033 5.039699 4.989491 4.937257 4.882826 4.826005 4.766575 4.704285 4.638846 4.569921 4.497119 4.419978 4.337946 4.250363 4.156421 4.055124 3.945222 3.825117 3.692718 3.545218 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.075480000000001e-10 7.534392000000001e-10 7.199048e-10 6.955402e-10 6.763926e-10 6.606172e-10 6.472021e-10 6.355321e-10 6.25205e-10 6.159434e-10 6.075478000000001e-10 5.998700999999999e-10 5.927971000000001e-10 5.862404e-10 5.801298e-10 5.744084e-10 5.690297000000001e-10 5.639547000000001e-10 5.591512e-10 5.545915e-10 5.50252e-10 5.461124e-10 5.421552e-10 5.38365e-10 5.345332e-10 5.305846e-10 5.265117e-10 5.223065e-10 5.179601e-10 5.134626e-10 5.088033000000001e-10 5.039699e-10 4.989491e-10 4.937257e-10 4.882826e-10 4.826005e-10 4.766575e-10 4.704284999999999e-10 4.638846e-10 4.569921e-10 4.497119e-10 4.4199780000000005e-10 4.337946e-10 4.250363e-10 4.156421e-10 4.055124e-10 3.945222e-10 3.8251170000000003e-10 3.692718e-10 3.5452180000000004e-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" [ 0.891329 1.28253 1.57118 1.80077 1.9894 2.15356 2.29453 2.41668 2.52312 2.61613 2.69747 2.76855 2.83047 2.88415 2.93036 2.97124 3.00629 3.03557 3.05952 3.07848 3.09278 3.10271 3.10852 3.11047 3.10688 3.09832 3.08428 3.06382 3.03579 2.99882 2.95126 2.89113 2.816 2.72292 2.60824 2.46745 2.29541 2.08505 1.82704 1.50982 1.11715 0.629306 0.0228088 -0.738867 -1.70479 -2.94268 -4.55318 -6.66881 -9.48908 -13.2915 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.428066497006586e-19 2.0548395984040198e-19 2.5173078838081197e-19 2.88515161720818e-19 3.1873701956796e-19 3.45038351191704e-19 3.6762423520120195e-19 3.8719482278551195e-19 4.04248390877808e-19 4.19150235750642e-19 4.32182340491598e-19 4.4357061200607e-19 4.53491289723798e-19 4.6209177389511e-19 4.694954321208239e-19 4.760451302006159e-19 4.81660759302786e-19 4.86351932487138e-19 4.90189145525568e-19 4.93226872423632e-19 4.9551798501025195e-19 4.97108946407814e-19 4.98039811032168e-19 4.98352235475798e-19 4.97777054064192e-19 4.96405590865488e-19 4.94156134871352e-19 4.90878081478188e-19 4.86387180373086e-19 4.804639333571879e-19 4.728439812858839e-19 4.63210093185642e-19 4.511729401343999e-19 4.362598800251279e-19 4.17886118386416e-19 3.9532907355632994e-19 3.6776522674499397e-19 3.3406183907216997e-19 2.9272407973833597e-19 2.41899832554588e-19 1.7898716266731e-19 1.008259368836004e-19 3.65437264095792e-21 -1.183795443033678e-19 -2.73137470387686e-19 -4.71469313733912e-19 -7.29499860639612e-19 -1.0684611558585539e-18 -1.5203182254156719e-18 -2.1295330730810998e-18 ] } }