{ "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" [ "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" "Mn" ] } "a" { "source-value" [ 9.27303 8.651703 8.266629 7.986852 7.766982 7.585833 7.431789 7.297783 7.179198 7.072847 6.976442 6.888279 6.80706 6.73177 6.661603 6.595904 6.53414 6.475865 6.420706 6.368347 6.318517 6.270983 6.225543 6.18202 6.13802 6.092678 6.045909 5.997621 5.947711 5.896067 5.842563 5.787062 5.729409 5.669428 5.606925 5.541678 5.473435 5.401907 5.326763 5.247617 5.164019 5.075438 4.981241 4.880669 4.772796 4.656477 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.27303e-10 8.651703e-10 8.266629e-10 7.986852e-10 7.766982e-10 7.585833e-10 7.431789000000001e-10 7.297783e-10 7.179198000000001e-10 7.072847e-10 6.976442e-10 6.888279e-10 6.80706e-10 6.73177e-10 6.661603000000001e-10 6.595904e-10 6.534140000000001e-10 6.475865e-10 6.420706e-10 6.368347e-10 6.318517e-10 6.270983e-10 6.225543e-10 6.18202e-10 6.13802e-10 6.092678e-10 6.045909000000001e-10 5.997621e-10 5.947711e-10 5.896067000000001e-10 5.842563000000001e-10 5.787062e-10 5.729409000000001e-10 5.669428e-10 5.606925e-10 5.541678e-10 5.473435000000001e-10 5.401907e-10 5.326763e-10 5.247617e-10 5.164019e-10 5.075438000000001e-10 4.981241e-10 4.880669e-10 4.772796e-10 4.656477e-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" [ 0.300137 0.449888 0.581501 0.702127 0.814879 0.9205 1.02014 1.1138 1.20178 1.28425 1.3614 1.43338 1.49999 1.5612 1.6172 1.6679 1.71301 1.75242 1.78605 1.81378 1.8355 1.85108 1.86067 1.86391 1.86026 1.84803 1.82497 1.78839 1.73448 1.65855 1.55453 1.41452 1.22813 0.981665 0.656525 0.22759 -0.339298 -1.09283 -2.10146 -3.46322 -5.32386 -7.90231 -11.5392 -16.7762 -24.5073 -36.2702 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 4.808724883988579e-20 7.20800041516992e-20 9.31667314847634e-20 1.124931473500518e-19 1.3055800933372858e-19 1.474803591597e-19 1.63444447140876e-19 1.7845043349491997e-19 1.9254638352085199e-19 2.0575953422144996e-19 2.1812032695275995e-19 2.29652794364292e-19 2.40324892923366e-19 2.5013181610008e-19 2.5910400525048e-19 2.6722704078486e-19 2.7445445958083396e-19 2.80768637695428e-19 2.8615675771556997e-19 2.90599593521652e-19 2.9407952117069996e-19 2.96575712366472e-19 2.98112199758478e-19 2.98631304987894e-19 2.98046510516484e-19 2.96087048493102e-19 2.9239242917509797e-19 2.86531667047926e-19 2.77894332814032e-19 2.6572900563207e-19 2.49063164285202e-19 2.26631089232568e-19 1.9676811895144199e-19 1.5728007254156098e-19 1.05186901463685e-19 3.6463938013206e-20 -5.43615327562932e-20 -1.7509066909342198e-19 -3.3669101092856397e-19 -5.54869016240148e-19 -8.529764094687239e-19 -1.266089643662454e-18 -1.8487836615052797e-18 -2.6878435647310797e-18 -3.92650234224282e-18 -5.81112669505068e-18 ] } }