{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Ti" "Ti" ] } "a" { "source-value" [ 4.92021 4.590538 4.38622 4.237772 4.12111 4.024994 3.943259 3.872157 3.809236 3.752807 3.701655 3.654876 3.611782 3.571834 3.534603 3.499744 3.466973 3.436052 3.406785 3.379004 3.352565 3.327343 3.303233 3.28014 3.264419 3.247873 3.230411 3.211925 3.192289 3.171348 3.148919 3.124772 3.098622 3.070107 3.038757 3.003944 2.964807 2.920119 2.868039 2.805628 2.727748 2.62411 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.92021e-10 4.5905379999999995e-10 4.38622e-10 4.237772e-10 4.12111e-10 4.0249940000000007e-10 3.943259e-10 3.872157e-10 3.8092359999999997e-10 3.752807e-10 3.7016550000000004e-10 3.654876e-10 3.611782e-10 3.571834e-10 3.5346030000000003e-10 3.4997440000000004e-10 3.466973e-10 3.4360520000000004e-10 3.4067850000000005e-10 3.379004e-10 3.352565e-10 3.327343e-10 3.303233e-10 3.2801399999999997e-10 3.2644190000000005e-10 3.247873e-10 3.2304110000000004e-10 3.2119250000000003e-10 3.192289e-10 3.171348e-10 3.1489189999999997e-10 3.1247720000000003e-10 3.0986220000000003e-10 3.070107e-10 3.038757e-10 3.0039440000000004e-10 2.964807e-10 2.9201190000000004e-10 2.8680390000000004e-10 2.805628e-10 2.727748e-10 2.62411e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 1.51164 2.08967 2.5195 2.86308 3.14765 3.38835 3.59465 3.77299 3.92796 4.06303 4.18084 4.2835 4.37271 4.44988 4.51622 4.59031 4.64243 4.68394 4.71778 4.7445 4.76458 4.77847 4.78655 4.78917 4.78791 4.78377 4.77613 4.76418 4.74692 4.72303 4.69081 4.64795 4.59137 4.51675 4.41795 4.28596 4.10699 3.85898 3.50437 2.97384 2.12416 0.603829 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.42191428701976e-19 3.34802044677078e-19 4.0366840293629996e-19 4.58715987727272e-19 5.043091282010099e-19 5.428735197813899e-19 5.7592642374081e-19 6.04499641831566e-19 6.29328573128664e-19 6.50969172924102e-19 6.69844415849256e-19 6.862923611738999e-19 7.005853789258139e-19 7.12949376010392e-19 7.235782158003479e-19 7.354487424816539e-19 7.43799287098062e-19 7.504499223057959e-19 7.55871688035252e-19 7.601527040013e-19 7.633698746823719e-19 7.65595298026998e-19 7.6688985674727e-19 7.67309627025378e-19 7.671077527694939e-19 7.664444516430179e-19 7.65220388694642e-19 7.633057876170119e-19 7.60540430746728e-19 7.567128307681019e-19 7.515506176533539e-19 7.446836886000299e-19 7.35618573204858e-19 7.236631311619499e-19 7.0783362601803e-19 6.86686496625864e-19 6.580123414071659e-19 6.182767587073319e-19 5.61461973089058e-19 4.764616961254559e-19 3.4032795188774393e-19 9.674407147315859e-20 ] } }