{ "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" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "a" { "source-value" [ 8.14643 7.600588 7.262298 7.016511 6.823353 6.664212 6.528883 6.411158 6.30698 6.21355 6.128857 6.051405 5.980053 5.91391 5.852268 5.794551 5.740291 5.689096 5.640638 5.59464 5.550864 5.509105 5.469186 5.43095 5.392296 5.352462 5.311376 5.268954 5.225108 5.179738 5.132735 5.083978 5.033328 4.980635 4.925726 4.868406 4.808454 4.745617 4.679602 4.610072 4.53663 4.458811 4.376059 4.287706 4.192938 4.090752 3.979884 3.858724 3.725162 3.576366 3.408409 3.215616 2.989347 2.71548 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.146430000000001e-10 7.600588e-10 7.262298e-10 7.016511000000001e-10 6.823353e-10 6.664212e-10 6.528883000000001e-10 6.411158000000001e-10 6.306980000000001e-10 6.21355e-10 6.128857e-10 6.051405e-10 5.980053e-10 5.91391e-10 5.852268e-10 5.794551000000001e-10 5.740291000000001e-10 5.689096e-10 5.640638e-10 5.59464e-10 5.550864e-10 5.509105e-10 5.469186e-10 5.430950000000001e-10 5.392296e-10 5.352462e-10 5.311376e-10 5.268954e-10 5.225107999999999e-10 5.179738000000001e-10 5.132735e-10 5.083978e-10 5.033328e-10 4.980635e-10 4.925726e-10 4.868406e-10 4.808454e-10 4.745617e-10 4.679602000000001e-10 4.610072e-10 4.53663e-10 4.458811e-10 4.376059e-10 4.287706e-10 4.192938e-10 4.090752e-10 3.9798840000000005e-10 3.858724e-10 3.725162e-10 3.576366e-10 3.408409e-10 3.215616e-10 2.989347e-10 2.71548e-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" [ 0.00521661 0.350408 0.950886 1.51459 1.99199 2.38896 2.71931 2.99567 3.22811 3.42451 3.59094 3.73219 3.85204 3.9535 4.03904 4.11066 4.17002 4.21853 4.25734 4.28746 4.30974 4.32491 4.33361 4.3364 4.33347 4.32415 4.30754 4.28259 4.2481 4.20262 4.14449 4.07198 3.98326 3.87379 3.72923 3.51634 3.17597 2.61923 1.72549 0.340201 -1.7293 -4.72025 -8.92385 -14.6985 -22.568 -33.6577 -50.2355 -75.9233 -115.765 -176.416 -267.444 -410.259 -663.686 -1208.65 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 8.35793065069074e-22 5.614155099666719e-20 1.5234873307977238e-19 2.42664070809006e-19 3.1915198331616596e-19 3.8275358915606397e-19 4.35681494260254e-19 4.79959247717478e-19 5.172002413981739e-19 5.48666990489934e-19 5.753320162095959e-19 5.979627611648459e-19 6.17164848123336e-19 6.334205322518999e-19 6.47125551179136e-19 6.5860034023184395e-19 6.68110860731268e-19 6.758830195828021e-19 6.821010670993559e-19 6.86926823120964e-19 6.904964726615159e-19 6.929269746152939e-19 6.94320868286874e-19 6.947678755677599e-19 6.94298437813998e-19 6.9280520919111e-19 6.90143993802036e-19 6.861465631002059e-19 6.806206558895399e-19 6.733339565581079e-19 6.64020503784666e-19 6.52403121011532e-19 6.381886099146839e-19 6.20649582302286e-19 5.97488516881182e-19 5.63379778519956e-19 5.08846492428498e-19 4.1964691050718194e-19 2.76453976020066e-19 5.450620930634339e-20 -2.7706440531762e-19 -7.5626742566385e-19 -1.42975839553209e-18 -2.3549593254849e-18 -3.6157922276112e-18 -5.39255804941818e-18 -8.048614429730699e-18 -1.2164253723617219e-17 -1.8547597803501e-17 -2.82649593063744e-17 -4.28492527703496e-17 -6.57307383688206e-17 -1.063342201512924e-16 -1.9364707886841e-16 ] } }