{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Mn" "Mn" "Mn" "Mn" ] } "a" { "source-value" [ 5.53901 5.167875 4.937861 4.770743 4.639409 4.531204 4.439189 4.359144 4.28831 4.224784 4.167199 4.114537 4.066022 4.02105 3.979137 3.939894 3.903 3.868191 3.835244 3.803968 3.774203 3.74581 3.718668 3.69267 3.674972 3.656345 3.636687 3.615877 3.593771 3.570197 3.544947 3.517763 3.488325 3.456224 3.420931 3.38174 3.337682 3.287374 3.228744 3.158485 3.070811 2.95414 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.53901e-10 5.167875000000001e-10 4.937861e-10 4.770743e-10 4.639409e-10 4.531204e-10 4.439189e-10 4.359144e-10 4.28831e-10 4.224784e-10 4.167199e-10 4.1145370000000005e-10 4.0660220000000005e-10 4.02105e-10 3.979137e-10 3.939894e-10 3.9030000000000004e-10 3.868191e-10 3.835244e-10 3.803968e-10 3.774203e-10 3.74581e-10 3.7186680000000004e-10 3.6926700000000003e-10 3.674972e-10 3.656345e-10 3.636687e-10 3.615877e-10 3.593771e-10 3.570197e-10 3.5449470000000003e-10 3.517763e-10 3.4883250000000005e-10 3.4562240000000003e-10 3.420931e-10 3.38174e-10 3.337682e-10 3.287374e-10 3.228744e-10 3.1584850000000004e-10 3.0708110000000003e-10 2.9541400000000005e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "cohesive-potential-energy" { "source-value" [ 0.543109 0.855328 1.10245 1.32393 1.51892 1.69185 1.84612 1.98419 2.10795 2.21889 2.31818 2.40682 2.48547 2.55481 2.61596 2.66914 2.71481 2.75338 2.78523 2.81067 2.83003 2.84355 2.8515 2.85411 2.85284 2.84864 2.8408 2.82842 2.81031 2.78493 2.75021 2.70333 2.6404 2.55587 2.44167 2.28556 2.0683 1.75799 1.29812 0.579451 -0.637218 -2.99261 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 8.701565495151059e-20 1.370386536005952e-19 1.7663196301532999e-19 2.1211697110516198e-19 2.43357813291528e-19 2.7106425382329e-19 2.95781032756008e-19 3.1790228554164595e-19 3.3773082356403003e-19 3.5550537114162597e-19 3.7141338294061198e-19 3.85615076624388e-19 3.9821619585079793e-19 4.0932568863095396e-19 4.1912299874786395e-19 4.27643374087476e-19 4.34960514774954e-19 4.411401100522919e-19 4.462430426315819e-19 4.50318979988478e-19 4.53420793951902e-19 4.5558693676107e-19 4.568606671851e-19 4.57278835286574e-19 4.57075358854056e-19 4.564024446677759e-19 4.5514633818672e-19 4.531628435138279e-19 4.502613016296539e-19 4.461949773325619e-19 4.40632220059314e-19 4.331212159991219e-19 4.2303871844136e-19 4.09495519354158e-19 3.9119866219387796e-19 3.6618708276050393e-19 3.3137819321021996e-19 2.81661050080566e-19 2.0798175321280797e-19 9.28382852747934e-20 -1.0209357903642119e-19 -4.79468981667474e-19 ] } }