{ "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" [ 8.471749208973122e-20 1.6158592091416321e-19 2.283886751184192e-19 2.770291551492864e-19 3.133328751999936e-19 3.4158565773118086e-19 3.643093287439872e-19 3.83024353851552e-19 3.9869203902635525e-19 4.119548570933376e-19 4.232598153297024e-19 4.3293375776609286e-19 4.412218174254913e-19 4.48313051149152e-19 4.543564613628096e-19 4.59472211313024e-19 4.637596359502848e-19 4.673004462822528e-19 4.701635359036225e-19 4.724081853493632e-19 4.7408406209472e-19 4.752376292616961e-19 4.759041347359488e-19 4.761204285797568e-19 4.760162870994049e-19 4.756798300090369e-19 4.750581854801664e-19 4.740904708012032e-19 4.726965771411073e-19 4.707739651961472e-19 4.681896543067969e-19 4.647674050447681e-19 4.6026528874032e-19 4.543516548329473e-19 4.465570655727552e-19 4.361893806595585e-19 4.2220077658335365e-19 4.0291537659878406e-19 3.7549893026365444e-19 3.34742761383744e-19 2.699475344853504e-19 1.5504567573039552e-19 ] } }