{ "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" [ "Be" "Be" "Be" "Be" "Be" "Be" "Be" "Be" ] } "a" { "source-value" [ 7.44787 6.948836 6.639554 6.414845 6.238251 6.092757 5.969032 5.861402 5.766158 5.68074 5.603309 5.532499 5.467266 5.406795 5.350438 5.297671 5.248064 5.201259 5.156957 5.114903 5.074881 5.036703 5.000207 4.96525 4.941452 4.916406 4.889973 4.861991 4.832267 4.800569 4.766617 4.730065 4.690481 4.647318 4.599862 4.547165 4.487922 4.420276 4.341442 4.246969 4.129079 3.9722 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.44787e-10 6.948836e-10 6.639554e-10 6.414845e-10 6.238251e-10 6.092757e-10 5.969032000000001e-10 5.861402000000001e-10 5.766158e-10 5.68074e-10 5.603309e-10 5.532499e-10 5.467266000000001e-10 5.406795e-10 5.350438e-10 5.297671e-10 5.248064000000001e-10 5.201259000000001e-10 5.156957000000001e-10 5.114903000000001e-10 5.074881000000001e-10 5.036703000000001e-10 5.000207e-10 4.96525e-10 4.941452e-10 4.916406000000001e-10 4.889973e-10 4.861991e-10 4.832267e-10 4.800569e-10 4.766617e-10 4.730065e-10 4.690481000000001e-10 4.6473180000000006e-10 4.599862e-10 4.547165e-10 4.4879220000000004e-10 4.4202760000000003e-10 4.341442e-10 4.2469690000000004e-10 4.1290790000000003e-10 3.9722e-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 0 0 0 0 0.0883977 0.386856 0.750822 1.08269 1.33897 1.5086 1.59628 1.62513 1.64625 1.66435 1.67974 1.69269 1.7034 1.71209 1.71891 1.72401 1.72752 1.72956 1.73021 1.7299 1.72887 1.72697 1.72402 1.71977 1.7139 1.70602 1.69559 1.68187 1.66387 1.64017 1.60868 1.56626 1.50789 1.42513 1.30249 1.10835 0.766083 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 0.0 0.0 0.0 0.0 1.4162872827249216e-20 6.198116388162047e-20 1.2029494547822976e-19 1.734660605573952e-19 2.1452664299525762e-19 2.41704365013888e-19 2.557522496250624e-19 2.603745291760704e-19 2.637583261992e-19 2.66658265882848e-19 2.6912401570225924e-19 2.711988344261952e-19 2.7291476558707203e-19 2.743070570705472e-19 2.753997415259328e-19 2.7621685160254085e-19 2.767792155964416e-19 2.771060596270848e-19 2.772102011074368e-19 2.77160533632192e-19 2.769955094402496e-19 2.766910958822976e-19 2.7621845377916165e-19 2.755375287153216e-19 2.74597051038912e-19 2.7333453586172165e-19 2.716634656462272e-19 2.6946527932248963e-19 2.6658136140504963e-19 2.627842028137536e-19 2.5773894863485444e-19 2.509425154094208e-19 2.4159061047381123e-19 2.283309967600704e-19 2.086819026825792e-19 1.77577245766368e-19 1.2274002721923264e-19 ] } }