{ "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" [ "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" "Ni" ] } "a" { "source-value" [ 7.57418 7.066681 6.752154 6.523633 6.344043 6.196081 6.070258 5.960803 5.863942 5.777076 5.698332 5.626321 5.559981 5.498485 5.441172 5.38751 5.337061 5.289462 5.244409 5.201642 5.160941 5.122115 5.085 5.04945 5.013511 4.976476 4.938275 4.898834 4.858067 4.815885 4.772184 4.726851 4.679759 4.630768 4.579715 4.526422 4.470681 4.412258 4.350881 4.286235 4.217953 4.1456 4.068661 3.986514 3.898403 3.803395 3.700316 3.587666 3.463486 3.325142 3.168984 2.989734 2.779359 2.52473 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.57418e-10 7.066681e-10 6.752154000000001e-10 6.523633e-10 6.344043e-10 6.196081000000001e-10 6.070258e-10 5.960803000000001e-10 5.863942e-10 5.777076e-10 5.698332e-10 5.626321e-10 5.559981e-10 5.498485e-10 5.441172e-10 5.38751e-10 5.337061e-10 5.289462e-10 5.244409000000001e-10 5.201642e-10 5.160941000000001e-10 5.122115e-10 5.085000000000001e-10 5.049450000000001e-10 5.013511000000001e-10 4.976476e-10 4.938275e-10 4.898834e-10 4.858067e-10 4.815885e-10 4.772184e-10 4.726851e-10 4.679759e-10 4.630768e-10 4.5797150000000004e-10 4.5264220000000003e-10 4.470681e-10 4.412258e-10 4.3508810000000006e-10 4.286235e-10 4.217953e-10 4.1456e-10 4.0686609999999996e-10 3.9865140000000005e-10 3.898403e-10 3.803395e-10 3.700316e-10 3.587666e-10 3.463486e-10 3.325142e-10 3.168984e-10 2.989734e-10 2.779359e-10 2.52473e-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" [ 1.70578 2.12531 2.34095 2.49726 2.61748 2.70767 2.77385 2.81763 2.84149 2.8548 2.86357 2.87131 2.88003 2.89091 2.90444 2.91973 2.93552 2.95093 2.96533 2.97827 2.98926 2.99743 3.00215 3.00359 3.00219 2.99794 2.9908 2.98071 2.9676 2.95142 2.93209 2.90951 2.8836 2.85396 2.81843 2.77329 2.71379 2.63565 2.53686 2.41555 2.26809 2.09076 1.88415 1.64448 1.35154 0.962053 0.439423 -0.227919 -1.05391 -2.19257 -3.89651 -6.51658 -11.0422 -19.7076 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.73296085874452e-19 3.4051220220065395e-19 3.7506153913622994e-19 4.0010516210228396e-19 4.1936652959623196e-19 4.338165606582779e-19 4.444197656220899e-19 4.514340949257419e-19 4.552568883744659e-19 4.5738938547432e-19 4.58794494382338e-19 4.60034579097054e-19 4.61431677121902e-19 4.631748452996939e-19 4.653425902854959e-19 4.67792318358882e-19 4.70322155263968e-19 4.72791109456962e-19 4.75098243809922e-19 4.77171460374318e-19 4.789322524950839e-19 4.80241230805062e-19 4.8099745817631e-19 4.8122817161160595e-19 4.81003866882846e-19 4.803229418133959e-19 4.7917898769672e-19 4.77562391473014e-19 4.754619379058399e-19 4.72869616112028e-19 4.69772608678506e-19 4.66154893838934e-19 4.6200365418024e-19 4.572548026370639e-19 4.5156226905646205e-19 4.443300437305859e-19 4.347970927582859e-19 4.2227768454021e-19 4.0644978157292397e-19 3.8701377682586997e-19 3.6338808018090595e-19 3.34976681930184e-19 3.0187411049511e-19 2.63474743108032e-19 2.1654058079163597e-19 1.541378837269602e-19 7.04033263042182e-20 -3.65166496244646e-20 -1.6885499763389396e-19 -3.51288442240938e-19 -6.24289727614734e-19 -1.044071220959172e-18 -1.7691554827954798e-18 -3.15750562322184e-18 ] } }