{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "C" "C" "C" "C" ] } "a" { "source-value" [ 4.0336 3.763335 3.595835 3.474137 3.378498 3.299702 3.232695 3.174405 3.122823 3.076563 3.034628 2.996279 2.96095 2.928201 2.897679 2.869102 2.842235 2.816887 2.792894 2.770119 2.748444 2.727767 2.708002 2.68907 2.669931 2.650208 2.629864 2.60886 2.58715 2.564686 2.541413 2.517271 2.492193 2.466102 2.438915 2.410533 2.380849 2.349736 2.31705 2.282623 2.246259 2.207728 2.166754 2.123007 2.076085 2.025488 1.970594 1.910603 1.844471 1.770797 1.687635 1.592176 1.480142 1.34454 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.0336e-10 3.763335e-10 3.5958350000000004e-10 3.474137e-10 3.378498e-10 3.299702e-10 3.232695e-10 3.1744050000000005e-10 3.122823e-10 3.076563e-10 3.034628e-10 2.996279e-10 2.96095e-10 2.928201e-10 2.8976790000000003e-10 2.869102e-10 2.842235e-10 2.816887e-10 2.792894e-10 2.7701190000000005e-10 2.748444e-10 2.727767e-10 2.708002e-10 2.6890700000000003e-10 2.6699310000000003e-10 2.6502080000000003e-10 2.6298640000000003e-10 2.60886e-10 2.5871499999999997e-10 2.564686e-10 2.541413e-10 2.517271e-10 2.492193e-10 2.466102e-10 2.4389150000000004e-10 2.4105330000000003e-10 2.3808490000000003e-10 2.3497360000000003e-10 2.31705e-10 2.282623e-10 2.246259e-10 2.207728e-10 2.166754e-10 2.123007e-10 2.076085e-10 2.0254880000000002e-10 1.970594e-10 1.910603e-10 1.844471e-10 1.770797e-10 1.687635e-10 1.592176e-10 1.480142e-10 1.3445400000000002e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "cohesive-potential-energy" { "source-value" [ 0.00329681 0.00239367 0.00120219 0.000660908 0.00104671 0.0012619 0.00271451 0.00460713 0.00585431 0.00701267 0.00857973 0.0105447 0.013558 0.0166501 0.0204493 0.0254254 0.0302941 0.0348056 0.0379871 0.0400421 0.0412351 0.0421398 0.0427316 0.042904 0.0427625 0.0423793 0.0416498 0.0400247 0.036696 0.033552 0.0302054 0.0267214 0.0253179 0.0253249 0.0254183 0.0242253 0.0248548 0.0246919 0.0220999 0.0195636 0.0194767 0.0195562 0.019675 0.013809 0.0126045 0.012603 0.0131384 0.0161789 0.0161806 0.0211608 0.0199114 0.0248448 0.0259339 0.0255393 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 5.28207194873754e-22 3.83508214350678e-22 1.9261207276284596e-22 1.058891354823672e-22 1.67701430457414e-22 2.0217866944446e-22 4.349124494759339e-22 7.38143603580042e-22 9.37963869019254e-22 1.123553601595278e-21 1.374624293202882e-21 1.68944719525398e-21 2.1722310803772e-21 2.66764011737634e-21 3.2763390641656197e-21 4.07359817901036e-21 4.85364991680594e-21 5.5764719052350396e-21 6.08620440134214e-21 6.415451699629139e-21 6.606591372065339e-21 6.7515402921433195e-21 6.84635710534344e-21 6.873978630513599e-21 6.8513078311425e-21 6.789912422527619e-21 6.6730336370773194e-21 6.41266391228598e-21 5.8793473761263995e-21 5.3756230423968e-21 4.8394386100623594e-21 4.28124027077676e-21 4.05637478019486e-21 4.05749630383866e-21 4.07246063360022e-21 3.88132096116402e-21 3.9821779802743195e-21 3.95607852290646e-21 3.54079433937366e-21 3.13443427969224e-21 3.1205113647427796e-21 3.13324866898308e-21 3.152282527395e-21 2.2124457138906e-21 2.0194635383253e-21 2.0192232118301997e-21 2.10500374881456e-21 2.59214555438226e-21 2.5924179244100396e-21 3.39033393167472e-21 3.1901579830227597e-21 3.98057580364032e-21 4.15506886084926e-21 4.09184697087162e-21 ] } }