{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Ni" "Ni" ] } "a" { "source-value" [ 3.82275 3.566612 3.407867 3.292531 3.201891 3.127213 3.063709 3.008466 2.95958 2.915738 2.875995 2.839651 2.806169 2.775131 2.746205 2.719121 2.693659 2.669636 2.646897 2.625312 2.60477 2.585175 2.566442 2.5485 2.536285 2.52343 2.509863 2.495501 2.480244 2.463975 2.446548 2.427787 2.40747 2.385316 2.360958 2.33391 2.303503 2.268783 2.22832 2.17983 2.119321 2.0388 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 3.82275e-10 3.566612e-10 3.407867e-10 3.292531e-10 3.201891e-10 3.127213e-10 3.063709e-10 3.008466e-10 2.95958e-10 2.9157380000000003e-10 2.875995e-10 2.839651e-10 2.806169e-10 2.775131e-10 2.746205e-10 2.719121e-10 2.693659e-10 2.6696360000000004e-10 2.646897e-10 2.6253120000000004e-10 2.60477e-10 2.5851750000000003e-10 2.566442e-10 2.5485000000000006e-10 2.536285e-10 2.52343e-10 2.5098630000000004e-10 2.495501e-10 2.480244e-10 2.4639750000000003e-10 2.446548e-10 2.427787e-10 2.40747e-10 2.385316e-10 2.360958e-10 2.33391e-10 2.3035030000000003e-10 2.268783e-10 2.22832e-10 2.17983e-10 2.1193209999999998e-10 2.0388000000000002e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ -3.53171 -2.47511 0.457052 2.36547 2.41417 2.30555 2.06092 1.55184 1.05517 0.480894 -0.248416 -0.999215 -1.62528 -2.02808 -2.24191 -2.37093 -2.40754 -2.373 -2.29819 -2.20674 -2.11343 -2.02507 -1.94018 -1.86748 -1.94011 -2.14544 -2.45163 -2.82309 -3.21418 -3.62117 -4.06043 -4.54672 -5.08104 -5.63017 -5.43336 -5.19621 -4.79225 -4.13662 -3.44781 -3.08847 -3.95423 -4.52148 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ -5.658423193445568e-19 -3.965563375908288e-19 7.322780288898816e-20 3.7899007312037765e-19 3.867926732636736e-19 3.6938983080854405e-19 3.301957841339136e-19 2.486321767222272e-19 1.690568704969536e-19 7.704771238829953e-20 -3.980063074326528e-20 -1.600918912152672e-19 -2.603985618253824e-19 -3.249342361112064e-19 -3.591935787937728e-19 -3.798648615553344e-19 -3.857304301640832e-19 -3.8019651211584004e-19 -3.682106288156352e-19 -3.535587236184192e-19 -3.3860881356973444e-19 -3.2445198094834563e-19 -3.108511036143744e-19 -2.992032795811584e-19 -3.108398883780288e-19 -3.437373809329152e-19 -3.9279442688519047e-19 -4.523088796414272e-19 -5.149684051042944e-19 -5.801753913942337e-19 -6.505526016394945e-19 -7.2846484853237755e-19 -8.140723497349632e-19 -9.020526745129535e-19 -8.70520236438989e-19 -8.325246178767168e-19 -7.6780309110288e-19 -6.627595853133696e-19 -5.524000574960449e-19 -4.948274428042177e-19 -6.335374859265984e-19 -7.244209547414785e-19 ] } }