{ "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" [ "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" "Rh" ] } "a" { "source-value" [ 9.47315 8.838413 8.445029 8.159214 7.934598 7.74954 7.592171 7.455273 7.334129 7.225483 7.126997 7.036931 6.953959 6.877045 6.805363 6.738247 6.67515 6.615617 6.559268 6.505779 6.454873 6.406313 6.359892 6.31543 6.270481 6.22416 6.176382 6.127051 6.076065 6.023306 5.968648 5.91195 5.853052 5.791777 5.727925 5.66127 5.591554 5.518483 5.441718 5.360864 5.275462 5.184969 5.08874 4.985998 4.875797 4.756968 4.628045 4.487152 4.331838 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.47315e-10 8.838412999999999e-10 8.445029e-10 8.159214e-10 7.934598e-10 7.74954e-10 7.592171e-10 7.455273000000001e-10 7.334129e-10 7.225483e-10 7.126997e-10 7.036931e-10 6.953959e-10 6.877045e-10 6.805363e-10 6.738247000000001e-10 6.67515e-10 6.615617000000001e-10 6.559268e-10 6.505779000000001e-10 6.454873000000001e-10 6.406313e-10 6.359892e-10 6.31543e-10 6.270481e-10 6.224160000000001e-10 6.176382000000001e-10 6.127051e-10 6.076065000000001e-10 6.023306e-10 5.968648e-10 5.91195e-10 5.853052e-10 5.791777e-10 5.727925e-10 5.661270000000001e-10 5.591554e-10 5.518483e-10 5.441718e-10 5.360864e-10 5.275462e-10 5.184969e-10 5.08874e-10 4.985998000000001e-10 4.875797000000001e-10 4.756967999999999e-10 4.6280450000000003e-10 4.487152e-10 4.3318380000000007e-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" [ 1.20369 1.80426 2.33208 2.81585 3.26804 3.69163 4.09123 4.46685 4.81968 5.15044 5.45984 5.74851 6.01565 6.26114 6.48573 6.68905 6.86994 7.02801 7.16288 7.27408 7.36117 7.42366 7.46213 7.47512 7.46046 7.41142 7.31895 7.17221 6.95601 6.65149 6.23433 5.67283 4.92529 3.93685 2.63288 0.912633 -1.36088 -4.38291 -8.42793 -13.8893 -21.3513 -31.6921 -46.2777 -67.2803 -98.2859 -145.46 -219.913 -342.872 -557.785 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.9285239925794598e-19 2.8907432136608397e-19 3.73640408461872e-19 4.5114890748489e-19 5.23597732697736e-19 5.914643327373419e-19 6.55487311031982e-19 7.1566826975829e-19 7.72197867935712e-19 8.251914622818959e-19 8.74762807337856e-19 9.210128402315338e-19 9.638133868322099e-19 1.003145221020276e-18 1.039128506043282e-18 1.0717039613657698e-18 1.100685734498196e-18 1.1260113405518339e-18 1.147619896814592e-18 1.1654361009846719e-18 1.179389457290178e-18 1.1894014590760439e-18 1.195565032587042e-18 1.197646260034608e-18 1.195297469089164e-18 1.187440394876028e-18 1.17262506754143e-18 1.149114727614114e-18 1.1144756687870339e-18 1.065686185928466e-18 9.98849785464522e-19 9.08887567465422e-19 7.89118455367386e-19 6.3075290815629e-19 4.21833881612592e-19 1.462199268017322e-19 -2.18037013767792e-19 -7.02219599092494e-19 -1.3503032518987618e-18 -2.2253111922616197e-18 -3.4208553965524195e-18 -5.07763421023914e-18 -7.41450496152618e-18 -1.0779492458851018e-17 -1.574713724316606e-17 -2.3305261318164e-17 -3.52339470112842e-17 -5.49341506852848e-17 -8.936700937956899e-17 ] } }