{ "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" [ "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" "Fe" ] } "a" { "source-value" [ 8.12059 7.576481 7.239264 6.994258 6.801713 6.643078 6.508178 6.390826 6.286979 6.193846 6.109421 6.032215 5.96109 5.895157 5.83371 5.776177 5.722089 5.671056 5.622753 5.576901 5.533263 5.491637 5.451844 5.41373 5.375198 5.335491 5.294535 5.252248 5.208541 5.163315 5.116461 5.067858 5.017369 4.964843 4.910107 4.852969 4.793208 4.73057 4.664764 4.595455 4.522246 4.444674 4.362184 4.274111 4.179644 4.077781 3.967265 3.846489 3.71335 3.565026 3.397602 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.12059e-10 7.576481000000001e-10 7.239264000000001e-10 6.994258e-10 6.801713e-10 6.643078000000001e-10 6.508178000000001e-10 6.390826e-10 6.286979e-10 6.193846e-10 6.109421e-10 6.032215e-10 5.961090000000001e-10 5.895157e-10 5.83371e-10 5.776177e-10 5.722089000000001e-10 5.671056000000001e-10 5.622753000000001e-10 5.576901000000001e-10 5.533263000000001e-10 5.491637e-10 5.451844e-10 5.41373e-10 5.375198000000001e-10 5.335491e-10 5.294535e-10 5.252248e-10 5.208541000000001e-10 5.163315e-10 5.116461e-10 5.067858000000001e-10 5.017369e-10 4.964843000000001e-10 4.910107000000001e-10 4.852969e-10 4.793208e-10 4.73057e-10 4.664764e-10 4.5954550000000004e-10 4.5222460000000004e-10 4.444674e-10 4.3621840000000003e-10 4.2741110000000007e-10 4.179644e-10 4.0777810000000003e-10 3.967265e-10 3.846489e-10 3.7133500000000004e-10 3.565026e-10 3.3976020000000004e-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" [ 0.809095 1.22453 1.55102 1.78833 1.95629 2.07908 2.17382 2.25067 2.31508 2.37024 2.41885 2.46318 2.50466 2.54325 2.57803 2.60828 2.63368 2.65456 2.67133 2.68442 2.69422 2.70102 2.70499 2.70628 2.70489 2.70039 2.69221 2.67935 2.66018 2.63332 2.59771 2.55211 2.49594 2.4301 2.35589 2.27506 2.18995 2.1037 2.02053 1.94218 1.83457 1.66439 1.39782 0.99451 0.399062 -0.455456 -1.66312 -3.39788 -6.03551 -10.226 -17.158 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.29631310368623e-19 1.9619133536320196e-19 2.48500800286668e-19 2.8652205398812197e-19 3.13432212732786e-19 3.3310533962167193e-19 3.48284361052188e-19 3.6059708848447797e-19 3.7091670818407196e-19 3.7975431449721594e-19 3.8754249511509e-19 3.9464494413361197e-19 4.0129077281144397e-19 4.0747357244204996e-19 4.13045942775102e-19 4.17892527092952e-19 4.2196205574331196e-19 4.25307400555104e-19 4.27994250770322e-19 4.300914999842279e-19 4.31661633085548e-19 4.32751113196668e-19 4.3338717732036597e-19 4.33593858106152e-19 4.3337115555402594e-19 4.32650176068726e-19 4.31339595582114e-19 4.2927919643078993e-19 4.2620782382341197e-19 4.2190437738448797e-19 4.16199026390814e-19 4.0889310093977396e-19 3.9989367478659597e-19 3.8934494382833996e-19 3.77455191027426e-19 3.6450479729480396e-19 3.5086867196282997e-19 3.3704989849457995e-19 3.2372459542960196e-19 3.11171541502212e-19 2.93930518743738e-19 2.6666467678632597e-19 2.23955454253788e-19 1.5933806842793398e-19 6.393678119173079e-20 -7.29720961015104e-20 -2.66461200353808e-19 -5.444003941135919e-19 -9.66995309627334e-19 -1.6383858259284e-18 -2.7490146686172e-18 ] } }