{ "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" [ "Nd" "Nd" ] } "a" { "source-value" [ 6.22641 5.809218 5.550658 5.362801 5.215168 5.093536 4.990102 4.900123 4.820499 4.749089 4.684357 4.62516 4.570625 4.520072 4.472957 4.428844 4.387372 4.348243 4.311207 4.27605 4.242592 4.210675 4.180164 4.15094 4.131045 4.110106 4.088009 4.064616 4.039766 4.013267 3.984883 3.954325 3.921233 3.885149 3.845476 3.80142 3.751894 3.695342 3.629436 3.550457 3.451901 3.32075 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.226409999999999e-10 5.809218000000001e-10 5.550658e-10 5.362801000000001e-10 5.215168000000001e-10 5.093536e-10 4.990102000000001e-10 4.900123e-10 4.820499e-10 4.749089e-10 4.684357000000001e-10 4.6251600000000004e-10 4.570625e-10 4.520072e-10 4.472957e-10 4.428844e-10 4.387372e-10 4.3482430000000003e-10 4.3112069999999997e-10 4.27605e-10 4.2425920000000005e-10 4.2106750000000006e-10 4.1801640000000006e-10 4.1509400000000005e-10 4.1310450000000004e-10 4.110106e-10 4.0880089999999995e-10 4.064616e-10 4.0397660000000004e-10 4.013267e-10 3.984883e-10 3.954325e-10 3.921233e-10 3.8851490000000005e-10 3.8454760000000004e-10 3.80142e-10 3.7518940000000004e-10 3.695342e-10 3.629436e-10 3.5504570000000006e-10 3.451901e-10 3.32075e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 1.36731 1.7082 1.95277 2.14401 2.30002 2.43049 2.54135 2.63653 2.7188 2.7902 2.85228 2.90626 2.95312 2.99365 3.0285 3.05824 3.08331 3.10414 3.12106 3.13438 3.14437 3.15126 3.15526 3.15655 3.15593 3.15389 3.15014 3.14429 3.13584 3.12419 3.10849 3.08767 3.06024 3.02417 2.97656 2.91315 2.82749 2.70927 2.54102 2.29071 1.89251 1.18623 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.190672115386048e-19 2.73683810365056e-19 3.128682439799616e-19 3.4350826967614084e-19 3.685038271372416e-19 3.894074255088192e-19 4.0716915552700804e-19 4.224186726037824e-19 4.35599779663104e-19 4.470393207356161e-19 4.569856331975424e-19 4.656341825966208e-19 4.731419822416897e-19 4.796356040857921e-19 4.8521918960928e-19 4.899840628795392e-19 4.940007196678848e-19 4.973380535690113e-19 5.000489364114048e-19 5.021830356703105e-19 5.037836101144896e-19 5.0488750980622085e-19 5.055283804545408e-19 5.057350612386241e-19 5.056357262881345e-19 5.053088822574913e-19 5.047080660246912e-19 5.037707927015232e-19 5.024169534569473e-19 5.0055041769371525e-19 4.980350003990593e-19 4.946992686745536e-19 4.903044982036992e-19 4.845254471324736e-19 4.768974842408448e-19 4.66738082288352e-19 4.530138373545792e-19 4.340729053434817e-19 4.0711628369852163e-19 3.670122007032768e-19 3.032135276630208e-19 1.9005499728915838e-19 ] } }