{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" ] } "a" { "source-value" [ 5.7695 5.382922 5.143336 4.969264 4.832464 4.719757 4.623913 4.540537 4.466756 4.400586 4.340605 4.285751 4.235218 4.188374 4.144717 4.103841 4.065413 4.029155 3.994836 3.962259 3.931256 3.901681 3.873409 3.84633 3.827895 3.808493 3.788017 3.76634 3.743314 3.718759 3.692458 3.664143 3.633479 3.600043 3.563281 3.522459 3.476566 3.424164 3.363094 3.289911 3.198587 3.07706 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.7695e-10 5.382922e-10 5.143336e-10 4.969264e-10 4.832464000000001e-10 4.719757e-10 4.623913e-10 4.540537e-10 4.4667560000000005e-10 4.400586e-10 4.340605e-10 4.285751e-10 4.235218e-10 4.1883739999999997e-10 4.144717e-10 4.103841e-10 4.065413000000001e-10 4.0291550000000005e-10 3.994836e-10 3.962259e-10 3.931256e-10 3.901681e-10 3.873409e-10 3.84633e-10 3.8278949999999997e-10 3.808493e-10 3.788017e-10 3.76634e-10 3.7433139999999997e-10 3.718759e-10 3.692458e-10 3.664143e-10 3.633479e-10 3.600043e-10 3.563281e-10 3.5224590000000004e-10 3.476566e-10 3.4241640000000003e-10 3.363094e-10 3.289911e-10 3.198587e-10 3.07706e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "cohesive-potential-energy" { "source-value" [ 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0.286602 0.996351 1.79671 2.50402 3.05841 3.45776 3.72228 3.87907 3.9555 3.97617 3.96852 3.94727 3.91549 3.87515 3.82474 3.76181 3.6832 3.58464 3.46032 3.30214 3.09848 2.83216 2.47665 1.98909 1.29549 0.257164 -1.41862 -4.47033 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 4.59187027657668e-20 1.5963302914625338e-19 2.8786467800741397e-19 4.01188233506868e-19 4.90011303919194e-19 5.53994227797984e-19 5.96375004120552e-19 6.21495531565038e-19 6.337409675786999e-19 6.37052666681178e-19 6.358270015561679e-19 6.324223762089179e-19 6.27330658866066e-19 6.2086747832451e-19 6.127909059125159e-19 6.0270840835475395e-19 5.901136978348799e-19 5.74322644930176e-19 5.54404385016288e-19 5.29061155019676e-19 4.964312256916319e-19 4.537620575749439e-19 3.9680307605960995e-19 3.18687352092306e-19 2.07560380758066e-19 4.12022151905976e-20 -2.27287981652508e-19 -7.162258272269219e-19 ] } }