{ "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" [ "N" "N" ] } "a" { "source-value" [ 4.57943 4.272591 4.082424 3.944257 3.835676 3.746216 3.670142 3.603964 3.545401 3.492881 3.445271 3.401732 3.361623 3.324441 3.289789 3.257345 3.226843 3.198064 3.170824 3.144967 3.120359 3.096884 3.074444 3.05295 3.038318 3.022918 3.006665 2.98946 2.971184 2.951694 2.930818 2.908343 2.884005 2.857465 2.828286 2.795885 2.759459 2.717866 2.669393 2.611305 2.538819 2.44236 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.5794300000000005e-10 4.2725910000000006e-10 4.0824239999999997e-10 3.9442570000000003e-10 3.835676e-10 3.746216e-10 3.670142e-10 3.603964e-10 3.5454010000000003e-10 3.492881e-10 3.445271e-10 3.401732e-10 3.361623e-10 3.3244410000000006e-10 3.289789e-10 3.257345e-10 3.2268430000000004e-10 3.198064e-10 3.170824e-10 3.144967e-10 3.1203590000000003e-10 3.0968840000000005e-10 3.0744440000000003e-10 3.0529500000000003e-10 3.038318e-10 3.0229180000000005e-10 3.0066650000000003e-10 2.98946e-10 2.971184e-10 2.951694e-10 2.930818e-10 2.908343e-10 2.884005e-10 2.857465e-10 2.828286e-10 2.7958850000000005e-10 2.759459e-10 2.717866e-10 2.669393e-10 2.611305e-10 2.5388190000000004e-10 2.44236e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0.017863 0.0247847 0.0288761 0.0310274 0.0316867 0.031126 0.0295289 0.0270274 0.024045 0.0211438 0.0183396 0.0159426 0.0142664 0.0136183 0.0142897 0.0152688 0.0178718 0.0214738 0.0258256 0.0305667 0.0352333 0.0392719 0.042247 0.0434053 0.0427288 0.0402721 0.0351985 0.0263245 0.0119713 -0.0102523 -0.043885 -0.0997684 -0.184231 -0.311324 -0.503533 -0.79554 -0.828757 -1.34952 -2.19441 -3.02133 -3.99955 -1.46785 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.8619680977350404e-21 3.9709466893541765e-21 4.626461231988288e-21 4.971137488420992e-21 5.076768993030336e-21 4.98693494990208e-21 4.731051321794112e-21 4.3302668401009925e-21 3.8524336847136e-21 3.387610203487104e-21 2.9383278354823684e-21 2.5542860994766084e-21 2.2857292542981122e-21 2.181892187504064e-21 2.2894623258245762e-21 2.446331438767104e-21 2.8633780131613442e-21 3.440482031973504e-21 4.137717253813248e-21 4.897325211500736e-21 5.644996953363265e-21 6.292052003439552e-21 6.7687155698937606e-21 6.954295687881025e-21 6.845908439483903e-21 6.452301709051968e-21 5.63942137872288e-21 4.21764984542496e-21 1.9180136980583042e-21 -1.6425995369427843e-21 -7.031152100380801e-21 -1.5984659797462273e-20 -2.951706010266048e-20 -4.987960342939392e-20 -8.067488004012865e-20 -1.274595588911232e-19 -1.3278150897243456e-19 -2.1621693933020161e-19 -3.5158323984497283e-19 -4.840704289721664e-19 -6.40798550372064e-19 -2.3517549528412805e-19 ] } }