{ "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" [ "W" "W" "W" "W" ] } "a" { "source-value" [ 6.018 5.614772 5.364867 5.183298 5.040607 4.923045 4.823073 4.736106 4.659147 4.590128 4.527563 4.470347 4.417638 4.368776 4.323239 4.280602 4.240518 4.202699 4.166902 4.132922 4.100584 4.069735 4.040246 4.012 3.983445 3.954019 3.923667 3.892329 3.859938 3.826422 3.7917 3.755681 3.718265 3.679339 3.638775 3.596431 3.552143 3.505723 3.456957 3.405592 3.351339 3.293852 3.23272 3.167451 3.097443 3.021955 2.940054 2.850549 2.751882 2.641962 2.517888 2.375466 2.208314 2.006 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.018e-10 5.614772e-10 5.364867000000001e-10 5.183297999999999e-10 5.040607e-10 4.923045e-10 4.823073e-10 4.736106000000001e-10 4.659147e-10 4.590128e-10 4.527563e-10 4.4703470000000006e-10 4.4176380000000006e-10 4.3687760000000006e-10 4.323239e-10 4.2806020000000003e-10 4.240518e-10 4.202699e-10 4.1669020000000005e-10 4.132922e-10 4.100584e-10 4.0697349999999997e-10 4.040246e-10 4.0119999999999997e-10 3.9834450000000003e-10 3.9540190000000004e-10 3.923667e-10 3.8923290000000005e-10 3.859938e-10 3.826422e-10 3.7917000000000005e-10 3.7556810000000004e-10 3.718265e-10 3.6793390000000004e-10 3.638775e-10 3.596431e-10 3.5521430000000003e-10 3.505723e-10 3.4569570000000003e-10 3.405592e-10 3.351339e-10 3.293852e-10 3.2327200000000003e-10 3.167451e-10 3.0974430000000003e-10 3.021955e-10 2.940054e-10 2.850549e-10 2.751882e-10 2.641962e-10 2.517888e-10 2.3754659999999997e-10 2.208314e-10 2.0059999999999998e-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" [ 1.64236 2.73561 3.5773 4.26503 4.84545 5.34483 5.77972 6.16138 6.49789 6.79531 7.05829 7.29056 7.49512 7.67447 7.8307 7.96559 8.08067 8.17727 8.25657 8.31961 8.3673 8.40049 8.4199 8.42623 8.41941 8.39735 8.35727 8.29591 8.20936 8.09291 7.94091 7.7465 7.50135 7.19522 6.81549 6.34651 5.76865 5.05714 4.18041 3.09773 1.75612 0.0855576 -2.00778 -4.65156 -8.02441 -12.394 -18.1923 -26.1667 -37.7181 -55.7181 -86.6522 -146.733 -280.591 -616.492 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.6313508166162398e-19 4.38293042173674e-19 5.7314664728082e-19 6.83333140930902e-19 7.763266771215299e-19 8.56336173870222e-19 9.26013233506248e-19 9.87161906919492e-19 1.0410767528302259e-18 1.088728690278654e-18 1.130862731399586e-18 1.168076488077504e-18 1.2008506133026079e-18 1.229585651233398e-18 1.25461645678638e-18 1.2762282174024059e-18 1.2946660661064778e-18 1.310143092390918e-18 1.322848353098538e-18 1.332948474599274e-18 1.3405892549668199e-18 1.3459068792150658e-18 1.34901670406166e-18 1.350030881870982e-18 1.3489381974065938e-18 1.3454037957519899e-18 1.3389822718029178e-18 1.3291513159766937e-18 1.315284477209424e-18 1.296627130306494e-18 1.2722740454696939e-18 1.2411261295281e-18 1.20184876934559e-18 1.1528013360489478e-18 1.091961882726066e-18 1.016823002944734e-18 9.2423962397241e-19 8.10243154286676e-19 6.69775522253994e-19 4.96311062444082e-19 2.81361443050008e-19 1.3707838758111838e-20 -3.2168182022125196e-19 -7.45262074364904e-19 -1.2856522203635938e-18 -1.9857377201796e-18 -2.9147277978718198e-18 -4.1923675328887796e-18 -6.04310584988754e-18 -8.927023791087539e-18 -1.3883213012469477e-17 -2.35092184036722e-17 -4.4955634391069397e-17 -9.877290774479279e-17 ] } }