{ "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" [ "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" "Ga" ] } "a" { "source-value" [ 8.18251 7.634252 7.294464 7.04759 6.853577 6.693731 6.557803 6.439557 6.334917 6.241074 6.156006 6.078211 6.006544 5.940108 5.878192 5.820221 5.76572 5.714298 5.665626 5.619425 5.575455 5.533511 5.493415 5.45501 5.428865 5.401348 5.372308 5.341566 5.30891 5.274086 5.236785 5.196627 5.153139 5.105718 5.053582 4.995686 4.930601 4.856283 4.769672 4.665881 4.536363 4.36401 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.182510000000001e-10 7.634252e-10 7.294464e-10 7.047589999999999e-10 6.853577e-10 6.693731e-10 6.557803e-10 6.439557e-10 6.334917e-10 6.241074e-10 6.156006e-10 6.078211e-10 6.006544e-10 5.940108e-10 5.878192000000001e-10 5.820221000000001e-10 5.76572e-10 5.714298000000001e-10 5.665626e-10 5.619425e-10 5.575455e-10 5.533511e-10 5.493414999999999e-10 5.45501e-10 5.428865e-10 5.401348e-10 5.372308000000001e-10 5.341566e-10 5.30891e-10 5.274086e-10 5.236785e-10 5.196627000000001e-10 5.153139000000001e-10 5.105718000000001e-10 5.053581999999999e-10 4.995686e-10 4.930601000000001e-10 4.856283000000001e-10 4.769672e-10 4.665881e-10 4.536363e-10 4.3640100000000007e-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" [ 0.528765 1.00854 1.42549 1.72908 1.95567 2.13201 2.27384 2.39065 2.48844 2.57122 2.64178 2.70216 2.75389 2.79815 2.83587 2.8678 2.89456 2.91666 2.93453 2.94854 2.959 2.9662 2.97036 2.97171 2.97106 2.96896 2.96508 2.95904 2.95034 2.93834 2.92221 2.90085 2.87275 2.83584 2.78719 2.72248 2.63517 2.5148 2.34368 2.0893 1.68488 0.967719 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 8.4717492787701e-20 1.61585922245436e-19 2.2838867700006597e-19 2.7702915743167196e-19 3.13332877781478e-19 3.41585660545434e-19 3.6430933174545594e-19 3.8302435700720995e-19 3.98692042311096e-19 4.1195486048734796e-19 4.2325981881685196e-19 4.32933761332944e-19 4.41221821060626e-19 4.4831305484271e-19 4.54356465106158e-19 4.5947221509852e-19 4.63759639771104e-19 4.673004501322439e-19 4.70163539777202e-19 4.72408189241436e-19 4.7408406600059995e-19 4.7523763317707995e-19 4.759041386568239e-19 4.76120432502414e-19 4.760162910212039e-19 4.75679833928064e-19 4.75058189394072e-19 4.740904747071359e-19 4.72696581035556e-19 4.70773969074756e-19 4.68189658164114e-19 4.6476740887389e-19 4.602652925323499e-19 4.54351658576256e-19 4.465570692518459e-19 4.361893842532319e-19 4.22200780061778e-19 4.0291537991832e-19 3.7549893335731196e-19 3.3474276414162e-19 2.6994753670939197e-19 1.550456770077846e-19 ] } }