{ "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 4.847958 4.812146 4.775206 4.737067 4.697647 4.656857 4.6146 4.570764 4.525227 4.477853 4.428487 4.376953 4.323053 4.266559 4.207209 4.144698 4.07867 4.008706 3.934308 3.854874 3.769673 3.677801 3.578126 3.469196 3.349117 3.215342 3.064339 2.891009 2.687581 2.44136 ] "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 4.847958e-10 4.812146000000001e-10 4.775206e-10 4.737067e-10 4.697647e-10 4.656856999999999e-10 4.6146000000000003e-10 4.570764e-10 4.5252270000000004e-10 4.4778529999999996e-10 4.428487e-10 4.3769530000000005e-10 4.323053e-10 4.2665590000000004e-10 4.207209e-10 4.144698e-10 4.07867e-10 4.008706e-10 3.9343080000000005e-10 3.8548740000000003e-10 3.769673e-10 3.6778010000000003e-10 3.5781260000000003e-10 3.469196e-10 3.349117e-10 3.215342e-10 3.064339e-10 2.891009e-10 2.687581e-10 2.44136e-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 2.47185 2.44558 2.40727 2.35886 2.30054 2.23141 2.15 2.05453 1.94286 1.81242 1.65994 1.48125 1.27099 1.02212 0.725211 0.367471 -0.0688676 -0.608994 -1.28949 -2.16496 -3.31914 -4.88472 -7.07939 -10.2747 -15.1331 -22.8942 -36.0021 -59.5291 -104.324 -191.426 ] "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 3.9603403127528996e-19 3.91825113257772e-19 3.85687174572918e-19 3.7793103748772395e-19 3.6858714335823596e-19 3.57511296287394e-19 3.4446797630999997e-19 3.29171995985202e-19 3.11280489513324e-19 2.90381697499428e-19 2.65951708184196e-19 2.3732241391124996e-19 2.0363504800476599e-19 1.6376167811440797e-19 1.161916118919774e-19 5.88753449872614e-20 -1.1033805955965839e-20 -9.75715957046196e-20 -2.06599074777666e-19 -3.46864832554464e-19 -5.31784855297476e-19 -7.826184247632479e-19 -1.134243324097326e-18 -1.6461884261359798e-18 -2.42458992199854e-18 -3.66805522941228e-18 -5.7681723394931396e-18 -9.537613306304939e-18 -1.67145475165416e-17 -3.0669826434008396e-17 ] } }