{ "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" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" ] } "a" { "source-value" [ 8.3224 7.764769 7.419172 7.168077 6.970747 6.808169 6.669917 6.549649 6.44322 6.347773 6.26125 6.182126 6.109233 6.041662 5.978687 5.919724 5.864292 5.811991 5.762487 5.715496 5.670774 5.628113 5.587331 5.54827 5.508781 5.468087 5.426112 5.382774 5.33798 5.291631 5.243612 5.193801 5.142057 5.088225 5.03213 4.973571 4.912324 4.848129 4.780689 4.709656 4.634628 4.555127 4.470587 4.380325 4.28351 4.179116 4.065853 3.942075 3.805627 3.653616 3.48203 3.285072 3.053914 2.77413 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.3224e-10 7.764769e-10 7.419172e-10 7.168077e-10 6.970747e-10 6.808169000000001e-10 6.669917e-10 6.549649e-10 6.44322e-10 6.347773e-10 6.26125e-10 6.182126000000001e-10 6.109233e-10 6.041662e-10 5.978687e-10 5.919724e-10 5.864292e-10 5.811991e-10 5.762487e-10 5.715496e-10 5.670774e-10 5.628113e-10 5.587331e-10 5.54827e-10 5.508781e-10 5.468087e-10 5.426112e-10 5.382774e-10 5.33798e-10 5.291631e-10 5.243612e-10 5.193801e-10 5.142057e-10 5.088225000000001e-10 5.032130000000001e-10 4.973571e-10 4.912324e-10 4.848129e-10 4.780688999999999e-10 4.709656e-10 4.6346280000000003e-10 4.555127e-10 4.470587e-10 4.380325e-10 4.28351e-10 4.179116e-10 4.065853e-10 3.942075e-10 3.805627e-10 3.653616e-10 3.48203e-10 3.285072e-10 3.053914e-10 2.77413e-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" [ 0.635106 1.14708 1.41398 1.59013 1.74477 1.89031 2.01905 2.12837 2.21874 2.29171 2.35009 2.39714 2.43528 2.4663 2.49156 2.5121 2.52872 2.54208 2.55277 2.56157 2.56848 2.57345 2.57643 2.57743 2.57633 2.57271 2.56604 2.5555 2.53899 2.51358 2.47573 2.42119 2.34481 2.24036 2.10026 1.91487 1.67157 1.35682 0.954784 0.440818 -0.216834 -1.04914 -2.091 -3.38732 -4.99177 -6.98891 -9.5601 -12.9832 -17.6109 -23.8493 -32.4833 -46.2037 -71.7124 -124.466 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.0175519933132038e-19 1.83782477332872e-19 2.26544571694332e-19 2.54766913102242e-19 2.79542972570418e-19 3.02861051301654e-19 3.2348747328776997e-19 3.4100246825065794e-19 3.55481338492116e-19 3.67172421390414e-19 3.7652592857970594e-19 3.8406416964267596e-19 3.9017487132475197e-19 3.9514482324341997e-19 3.9919192142090403e-19 4.0248279222714e-19 4.0514560979284795e-19 4.0728611777587195e-19 4.0899884459761803e-19 4.10408760035538e-19 4.11515864089632e-19 4.1231214587672995e-19 4.12789594513662e-19 4.1294981217706197e-19 4.1277357274732197e-19 4.1219358480581393e-19 4.11124932990936e-19 4.0943623881869996e-19 4.06791045195966e-19 4.02719914368972e-19 3.9665567580928196e-19 3.87917404447446e-19 3.7567997931695395e-19 3.5894524437482397e-19 3.36498749732484e-19 3.06795997114758e-19 2.67815039609538e-19 2.1738653005438796e-19 1.5297326153170558e-19 7.06268299446612e-20 -3.47406368256756e-20 -1.6809075937947598e-19 -3.350151341694e-19 -5.42708495588088e-19 -7.997697256302179e-19 -1.119746829912894e-18 -1.53169688387034e-18 -2.08013796745488e-18 -2.82157724837106e-18 -3.82107911972562e-18 -5.20439842552122e-18 -7.402648854434579e-18 -1.1489593164806159e-17 -1.9941651692744398e-17 ] } }