{ "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" [ "Mo" "Mo" "Mo" "Mo" ] } "a" { "source-value" [ 6.02102 5.617589 5.367558 5.185898 5.043134 4.925514 4.825492 4.738481 4.661483 4.592429 4.529832 4.472588 4.419852 4.370966 4.325406 4.282747 4.242644 4.204805 4.16899 4.134993 4.102638 4.071774 4.04227 4.01401 3.985441 3.956 3.925632 3.894278 3.861872 3.828339 3.793599 3.757562 3.720127 3.681181 3.640597 3.598232 3.553922 3.507478 3.458687 3.407297 3.353016 3.2955 3.234338 3.169036 3.098993 3.023466 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.02102e-10 5.617589e-10 5.367558e-10 5.185898e-10 5.043134e-10 4.925514e-10 4.825492e-10 4.738481e-10 4.661483e-10 4.592429e-10 4.529832e-10 4.472588e-10 4.4198519999999996e-10 4.370966e-10 4.325406e-10 4.2827469999999996e-10 4.2426440000000005e-10 4.2048050000000003e-10 4.16899e-10 4.134993e-10 4.102638e-10 4.071774e-10 4.0422700000000004e-10 4.01401e-10 3.985441e-10 3.956e-10 3.9256319999999997e-10 3.894278e-10 3.861872e-10 3.828339e-10 3.793599e-10 3.7575620000000003e-10 3.720127e-10 3.6811810000000003e-10 3.6405970000000004e-10 3.598232e-10 3.5539220000000003e-10 3.507478e-10 3.458687e-10 3.407297e-10 3.353016e-10 3.2955e-10 3.234338e-10 3.169036e-10 3.098993e-10 3.023466e-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" [ 0.547439 0.849982 1.8368 2.49256 3.03239 3.44711 3.90564 4.42512 4.93125 5.37247 5.72116 5.97734 6.16028 6.28874 6.37642 6.43641 6.47772 6.50597 6.52561 6.53939 6.54891 6.55572 6.56063 6.56254 6.56007 6.55109 6.53305 6.50686 6.47753 6.43988 6.38387 6.29416 6.15944 5.97071 5.71812 5.38746 4.96145 4.42802 3.75677 2.92605 1.91899 0.709022 -0.642351 -2.3831 -4.7479 -8.00116 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 8.77093974340326e-20 1.361821299720588e-19 2.9428780413311997e-19 3.99352139084304e-19 4.85842440317526e-19 5.52287909682774e-19 6.25752514881576e-19 7.089823866646079e-19 7.9007335264125e-19 8.607645900865979e-19 9.16630887137544e-19 9.576754481473559e-19 9.86985667489752e-19 1.007567228530116e-18 1.021615113257028e-18 1.031226570884394e-18 1.037845162559448e-18 1.0423713115504978e-18 1.045517986459674e-18 1.0477257858613259e-18 1.049251058016894e-18 1.050342140304648e-18 1.051128809031942e-18 1.0514348247690359e-18 1.0510390871404378e-18 1.049600332523106e-18 1.0467100058753699e-18 1.0425139052709239e-18 1.037814721203402e-18 1.0317825261763919e-18 1.022808734849358e-18 1.0084356082657439e-18 9.86851084652496e-19 9.56613205039014e-19 9.161438254408078e-19 8.631662528609639e-19 7.9491192607593e-19 7.09447017888468e-19 6.01900911331218e-19 4.688048939915699e-19 3.0745609388796598e-19 1.135978481391948e-19 -1.029159763026534e-19 -3.8181471364854e-19 -7.606974440568599e-19 -1.281927159689544e-18 ] } }