{ "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 5.521678 5.493691 5.464155 5.432887 5.399673 5.364253 5.326314 5.28547 5.241239 5.193008 5.13998 5.081095 5.014897 4.939308 4.851216 4.745651 4.613919 4.43862 ] "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 5.521678e-10 5.493691000000001e-10 5.464155e-10 5.432887e-10 5.399673e-10 5.364253e-10 5.326314e-10 5.285470000000001e-10 5.241239e-10 5.193008e-10 5.139980000000001e-10 5.081095000000001e-10 5.014897000000001e-10 4.939308e-10 4.851216e-10 4.745650999999999e-10 4.6139190000000003e-10 4.43862e-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 2.57693 2.5753 2.57222 2.56734 2.56014 2.54949 2.53349 2.50943 2.47351 2.42018 2.34128 2.22441 2.05012 1.7854 1.37341 0.713671 -0.420211 -2.52818 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.0175519849298048e-19 1.8378247581872642e-19 2.265445698278784e-19 2.547669110032704e-19 2.795429702673216e-19 3.028610488064448e-19 3.23487470622624e-19 3.410024654412096e-19 3.554813355633792e-19 3.6717241836535684e-19 3.7652592547758717e-19 3.840641664784512e-19 3.9017486811018244e-19 3.95144819987904e-19 3.9919191813204484e-19 4.0248278891116805e-19 4.051456064549376e-19 4.0728611442032642e-19 4.0899884122796165e-19 4.1040875665426564e-19 4.1151586069923844e-19 4.12312142479776e-19 4.1278959111277444e-19 4.1294980877485444e-19 4.128696999438144e-19 4.12608545154624e-19 4.1211507475541766e-19 4.1133321256446724e-19 4.101796453974912e-19 4.0847332729633925e-19 4.0590984470305924e-19 4.0205500775341443e-19 3.9629998933150084e-19 3.8775558141277447e-19 3.751144078746624e-19 3.5638976970737286e-19 3.2846543338344964e-19 2.86052613877632e-19 2.200445392772928e-19 1.1434269911429568e-19 -6.732522400029889e-20 -4.050590889174144e-19 ] } }