{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "sc" ] } "species" { "source-value" [ "Fe" ] } "a" { "source-value" [ 3.67533 3.429069 3.276447 3.165558 3.078414 3.006616 2.945561 2.892448 2.845448 2.803296 2.765086 2.730143 2.697952 2.668111 2.640301 2.614261 2.589781 2.566684 2.544822 2.52407 2.50432 2.48548 2.46747 2.45022 2.432781 2.41481 2.396273 2.377134 2.357352 2.336883 2.315678 2.29368 2.270829 2.247056 2.222283 2.196423 2.169375 2.141025 2.111242 2.079873 2.046739 2.01163 1.974296 1.934435 1.891679 1.845577 1.795558 1.740895 1.680637 1.613507 1.537731 1.450751 1.348668 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 3.6753300000000005e-10 3.429069e-10 3.276447e-10 3.165558e-10 3.0784140000000003e-10 3.006616e-10 2.945561e-10 2.892448e-10 2.845448e-10 2.8032960000000003e-10 2.7650860000000003e-10 2.730143e-10 2.697952e-10 2.668111e-10 2.640301e-10 2.614261e-10 2.589781e-10 2.566684e-10 2.544822e-10 2.5240700000000004e-10 2.50432e-10 2.48548e-10 2.4674700000000003e-10 2.45022e-10 2.432781e-10 2.4148100000000004e-10 2.396273e-10 2.377134e-10 2.357352e-10 2.3368829999999997e-10 2.3156780000000003e-10 2.2936800000000001e-10 2.270829e-10 2.2470560000000004e-10 2.2222830000000002e-10 2.196423e-10 2.169375e-10 2.141025e-10 2.1112419999999999e-10 2.0798730000000002e-10 2.046739e-10 2.0116299999999998e-10 1.974296e-10 1.934435e-10 1.891679e-10 1.845577e-10 1.795558e-10 1.740895e-10 1.680637e-10 1.613507e-10 1.537731e-10 1.450751e-10 1.348668e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] ] } "cohesive-potential-energy" { "source-value" [ 2.01945 2.50276 2.79141 3.0397 3.23876 3.39895 3.53318 3.64649 3.73478 3.79149 3.81675 3.81928 3.80892 3.79243 3.7757 3.76503 3.7637 3.77144 3.78575 3.80323 3.82052 3.83483 3.84417 3.84741 3.84388 3.83337 3.81741 3.79897 3.78138 3.76713 3.75717 3.75013 3.74169 3.72399 3.68526 3.61023 3.48212 3.28922 3.03639 2.73632 2.39162 1.97309 1.40699 0.630108 -0.356989 -1.5878 -3.16814 -5.53636 -10.5528 -26.5848 -93.6358 -430.112 -2495.06 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 3.2355156035313e-19 4.0098635925098394e-19 4.47233187791394e-19 4.8701363143698e-19 5.189065595133839e-19 5.4457182701343e-19 5.66077843971612e-19 5.842321074114659e-19 5.98377724913052e-19 6.074636686044659e-19 6.1151076678195e-19 6.11916117470352e-19 6.102562624775279e-19 6.076142732080619e-19 6.049338316993799e-19 6.032243092309019e-19 6.0301121973858e-19 6.04251304453296e-19 6.0654401921655e-19 6.093446239727819e-19 6.12114787372968e-19 6.14407502136222e-19 6.15903935112378e-19 6.164230403417939e-19 6.15857471989992e-19 6.14173584347658e-19 6.11616510439794e-19 6.08662096726698e-19 6.058438680274919e-19 6.035607663240419e-19 6.019649983965779e-19 6.00837066046242e-19 5.99484828967146e-19 5.96648976324966e-19 5.904437462214839e-19 5.78422614936582e-19 5.57897130078408e-19 5.269911428085479e-19 4.86483310971126e-19 4.384067967146879e-19 3.83179768140708e-19 3.1612386947790596e-19 2.25424650227166e-19 1.009544314496472e-19 -5.719594343950259e-20 -2.5439360594652e-19 -5.07591988124076e-19 -8.870226629412239e-19 -1.6907449583275198e-18 -4.25935453795632e-18 -1.500210908658972e-17 -6.89115396403008e-17 -3.9975268324280395e-16 ] } }