{ "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" [ 7.32407 6.83333 6.529188 6.308213 6.134554 5.991478 5.86981 5.763969 5.670307 5.586309 5.510165 5.440532 5.376383 5.316917 5.261497 5.209607 5.160824 5.114797 5.071231 5.029876 4.990519 4.952976 4.917086 4.88271 4.859308 4.834678 4.808685 4.781168 4.751938 4.720767 4.687379 4.651435 4.61251 4.570064 4.523397 4.471575 4.413318 4.346797 4.269273 4.17637 4.060441 3.90617 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.32407e-10 6.833330000000001e-10 6.529188000000001e-10 6.308213000000001e-10 6.134554e-10 5.991478e-10 5.869810000000001e-10 5.763969e-10 5.670307000000001e-10 5.586309e-10 5.510164999999999e-10 5.440532e-10 5.376383e-10 5.316917000000001e-10 5.261497000000001e-10 5.209607e-10 5.160824e-10 5.114797000000001e-10 5.071231000000001e-10 5.029876e-10 4.990519e-10 4.952976e-10 4.917086e-10 4.88271e-10 4.859308e-10 4.834678e-10 4.808685e-10 4.781168e-10 4.751938000000001e-10 4.720767000000001e-10 4.687379e-10 4.6514350000000004e-10 4.6125100000000004e-10 4.5700640000000005e-10 4.523397e-10 4.4715749999999996e-10 4.413318e-10 4.3467969999999995e-10 4.269273e-10 4.1763700000000004e-10 4.060441e-10 3.90617e-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" [ -0.238865 -0.0435844 0.106565 0.228392 0.33053 0.418135 0.494606 0.572273 0.699767 0.805053 0.8866 0.960335 1.03455 1.11233 1.19766 1.29858 1.44081 2.13932 2.31947 2.39605 2.43562 2.4546 2.47124 2.4818 2.47712 2.46365 2.44241 2.41407 2.37871 2.33575 2.28399 2.22153 2.14571 2.05291 1.9381 1.79399 1.60949 1.36671 1.03479 0.554919 -0.201309 -1.58028 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ -3.8270392168040994e-20 -6.98299072869096e-21 1.7073595300220998e-20 3.65924325792528e-20 5.2956744283602e-20 6.6992612685759e-20 7.92446176236204e-20 9.16882428869082e-20 1.121150336644278e-19 1.289837105731602e-19 1.4204898037044e-19 1.53862629781239e-19 1.6575318367047e-19 1.78214913529722e-19 1.9188628674764399e-19 2.08055453337972e-19 2.3084321160335396e-19 3.42756851664888e-19 3.7162006372639795e-19 3.8388953238956995e-19 3.9022934533030797e-19 3.9327027658163997e-19 3.9593629850061595e-19 3.9762819702611993e-19 3.96878378361408e-19 3.9472024643540994e-19 3.91317223264794e-19 3.86776654684038e-19 3.8111135810621397e-19 3.7422840728655e-19 3.65935541028966e-19 3.5592834577300197e-19 3.4378064253401396e-19 3.2891244337049393e-19 3.1051785343554e-19 2.87428885962966e-19 2.57868727065666e-19 2.18971082745414e-19 1.65791635909686e-19 8.890782555626461e-20 -3.2253257601390595e-20 -2.5318876911775195e-19 ] } }