{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "K" "K" ] } "a" { "source-value" [ 7.64908 7.136564 6.818927 6.588147 6.406782 6.257357 6.13029 6.019752 5.921935 5.834209 5.754687 5.681964 5.614968 5.552864 5.494985 5.440792 5.389844 5.341775 5.296276 5.253086 5.211983 5.172773 5.135291 5.09939 5.063095 5.025694 4.987115 4.947283 4.906114 4.863514 4.81938 4.773599 4.726042 4.676565 4.625008 4.571187 4.514895 4.455894 4.393909 4.328624 4.259666 4.186597 4.108896 4.025937 3.936955 3.841006 3.736907 3.623143 3.497734 3.358022 3.200318 3.019295 2.806838 2.54969 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.64908e-10 7.136564e-10 6.818927e-10 6.588147000000001e-10 6.406781999999999e-10 6.257357e-10 6.13029e-10 6.019752e-10 5.921935000000001e-10 5.834209e-10 5.754687e-10 5.681964e-10 5.614968e-10 5.552863999999999e-10 5.494985e-10 5.440792e-10 5.389844e-10 5.341775e-10 5.296276e-10 5.253086e-10 5.211983e-10 5.172773000000001e-10 5.135291e-10 5.09939e-10 5.063095e-10 5.025694e-10 4.987115e-10 4.947283e-10 4.906114e-10 4.863514e-10 4.81938e-10 4.773599e-10 4.726042e-10 4.676565e-10 4.6250080000000005e-10 4.571187e-10 4.514895e-10 4.4558939999999997e-10 4.393909e-10 4.328624e-10 4.2596660000000003e-10 4.186597e-10 4.108896e-10 4.025937e-10 3.9369550000000006e-10 3.8410060000000003e-10 3.736907e-10 3.623143e-10 3.497734e-10 3.358022e-10 3.2003180000000004e-10 3.019295e-10 2.8068380000000003e-10 2.54969e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0.00850873 0.0566807 0.130829 0.212684 0.293255 0.369341 0.439969 0.504975 0.564462 0.618624 0.66768 0.711857 0.751383 0.786483 0.817378 0.844281 0.867394 0.88691 0.903009 0.91586 0.925618 0.93243 0.936428 0.937735 0.936322 0.931735 0.92338 0.911046 0.89362 0.870143 0.839479 0.800255 0.750798 0.689055 0.61248 0.517875 0.401176 0.257124 0.0787922 -0.143109 -0.421312 -0.771215 -1.21735 -1.79314 -2.54622 -3.54688 -4.90066 -6.77463 -9.45041 -13.4339 -19.6898 -30.1239 -48.8074 -85.9298 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.363248839101482e-21 9.08124931387638e-21 2.09611166849586e-20 3.40757335225656e-20 4.6984630880366995e-20 5.91749520178194e-20 7.04908051484346e-20 8.090591457541499e-20 9.04367827180908e-20 9.911449180316158e-20 1.06974129498912e-19 1.140520652149338e-19 1.203848285784822e-19 1.260084685638222e-19 1.309583932745652e-19 1.3526872907301539e-19 1.3897183992717959e-19 1.4209864784609398e-19 1.4467799200917057e-19 1.46736949201524e-19 1.483003531609812e-19 1.4939175588406198e-19 1.500323061023352e-19 1.50241710588399e-19 1.5001532303001478e-19 1.4928040460799898e-19 1.47941786030292e-19 1.459656613699164e-19 1.4317370836750798e-19 1.394122782838662e-19 1.344993638533686e-19 1.28214986224167e-19 1.2029110124539318e-19 1.10398782054087e-19 9.8130114479232e-20 8.297272243327499e-20 6.42754813321584e-20 4.11958064840616e-20 1.262390217814548e-20 -2.2928589591510596e-20 -6.75016242023808e-20 -1.23562265279031e-19 -1.9504097253998997e-19 -2.8729270094907595e-19 -4.0794941890234796e-19 -5.6827282596019195e-19 -7.85172294317844e-19 -1.085415388999542e-18 -1.5141226083719939e-18 -2.1523480683492598e-18 -3.1546537488133203e-18 -4.82638087049526e-18 -7.81980758462916e-18 -1.376747177242932e-17 ] } }