{ "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" [ 7.83308 7.308234 6.982955 6.746623 6.560895 6.407875 6.277751 6.164554 6.064383 5.974547 5.893112 5.818639 5.750032 5.686433 5.627162 5.571665 5.519492 5.470266 5.423673 5.379444 5.337352 5.297199 5.258815 5.22205 5.197021 5.17068 5.14288 5.113451 5.082189 5.048852 5.013144 4.974701 4.93307 4.887675 4.837764 4.782341 4.720035 4.648891 4.565979 4.46662 4.342633 4.17764 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 7.83308e-10 7.308234e-10 6.982955e-10 6.746623e-10 6.560895000000001e-10 6.407875e-10 6.277751000000001e-10 6.164554e-10 6.064383e-10 5.974547000000001e-10 5.893112000000001e-10 5.818639e-10 5.750032000000001e-10 5.686433e-10 5.627162e-10 5.571665000000001e-10 5.519492e-10 5.470266e-10 5.423673e-10 5.379444000000001e-10 5.337352e-10 5.297199e-10 5.258815e-10 5.222050000000001e-10 5.197021e-10 5.17068e-10 5.14288e-10 5.113451000000001e-10 5.082189e-10 5.048852e-10 5.013144e-10 4.974701e-10 4.93307e-10 4.887675e-10 4.837764e-10 4.782341e-10 4.720035e-10 4.648891e-10 4.5659789999999996e-10 4.46662e-10 4.3426330000000003e-10 4.1776400000000005e-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" [ 0.933844 1.26727 1.52484 1.74298 1.93569 2.10592 2.25464 2.38297 2.49274 2.58652 2.66674 2.7354 2.79412 2.84415 2.88654 2.92214 2.95168 2.97579 2.99502 3.00985 3.02074 3.02809 3.03225 3.03357 3.03295 3.03096 3.02733 3.02173 3.01375 3.00286 2.98838 2.96942 2.94478 2.91288 2.87156 2.81782 2.74755 2.65513 2.53353 2.37468 2.16729 1.87785 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.4961830366010958e-19 2.0303903829691797e-19 2.44306301858856e-19 2.7925618295293197e-19 3.1013172886674597e-19 3.3740558170732795e-19 3.61233152608176e-19 3.8179388535229794e-19 3.99380978263716e-19 4.14406190737368e-19 4.2725885169531594e-19 4.382593964643599e-19 4.47667377659208e-19 4.5568306735911e-19 4.62474694110636e-19 4.68178442927676e-19 4.729112727045119e-19 4.767741205690859e-19 4.798551062362679e-19 4.8223113418449e-19 4.83975904538916e-19 4.85153504364906e-19 4.8582000984465e-19 4.86031497160338e-19 4.8593216220902995e-19 4.85613329058864e-19 4.85031738940722e-19 4.84134520025682e-19 4.828559830717499e-19 4.81111212717324e-19 4.787912609512919e-19 4.757535340532279e-19 4.71805770827052e-19 4.66694827364592e-19 4.60074633512904e-19 4.51464536281788e-19 4.402060410746699e-19 4.25398724623242e-19 4.0591625675380193e-19 3.80465680922712e-19 3.47238139710186e-19 3.0086473921569e-19 ] } }