{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Ni" "Ni" "Ni" "Ni" ] } "a" { "source-value" [ 5.27893 4.925223 4.706009 4.546739 4.421572 4.318448 4.230754 4.154468 4.08696 4.026417 3.971536 3.921347 3.875111 3.83225 3.792305 3.754905 3.719744 3.686569 3.655169 3.625362 3.596995 3.569935 3.544067 3.51929 3.502422 3.48467 3.465935 3.446102 3.425034 3.402567 3.378502 3.352594 3.324538 3.293944 3.260308 3.222957 3.180967 3.13302 3.077143 3.010182 2.926624 2.81543 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.27893e-10 4.925223e-10 4.706009e-10 4.546739e-10 4.4215720000000004e-10 4.318448e-10 4.2307540000000003e-10 4.1544679999999996e-10 4.0869600000000006e-10 4.0264170000000004e-10 3.9715360000000003e-10 3.921347e-10 3.8751110000000003e-10 3.8322500000000004e-10 3.792305e-10 3.754905e-10 3.719744e-10 3.686569e-10 3.655169e-10 3.625362e-10 3.596995e-10 3.569935e-10 3.544067e-10 3.51929e-10 3.5024220000000005e-10 3.48467e-10 3.465935e-10 3.446102e-10 3.425034e-10 3.402567e-10 3.3785020000000004e-10 3.352594e-10 3.324538e-10 3.2939440000000004e-10 3.260308e-10 3.2229570000000004e-10 3.180967e-10 3.13302e-10 3.077143e-10 3.010182e-10 2.926624e-10 2.81543e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "cohesive-potential-energy" { "source-value" [ 1.41741 1.96242 2.33408 2.62054 2.85614 3.0555 3.21678 3.35588 3.48464 3.60917 3.73174 3.84875 3.95687 4.05474 4.14143 4.21603 4.27843 4.32925 4.36957 4.40054 4.42317 4.43839 4.44701 4.44974 4.44848 4.44447 4.43737 4.4268 4.412 4.39155 4.36326 4.32362 4.26753 4.18801 4.07563 3.91594 3.68504 3.34276 2.82575 2.03681 0.853284 -1.22436 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.27094118279794e-19 3.1441434700942797e-19 3.73960843788672e-19 4.19856795646236e-19 4.576040771432759e-19 4.895450705187e-19 5.15384975271852e-19 5.37671252250792e-19 5.58300878590176e-19 5.78252784213378e-19 5.97890663216316e-19 6.1663773201075e-19 6.339604657775579e-19 6.496409684945159e-19 6.635302377346619e-19 6.75482475424302e-19 6.85480057620462e-19 6.9362231927445e-19 7.00082295462738e-19 7.05044236498236e-19 7.086699622209779e-19 7.11108475057926e-19 7.124895513164339e-19 7.12926945537516e-19 7.127250712816319e-19 7.120825984513979e-19 7.109450530412578e-19 7.0925155233912e-19 7.068803309208e-19 7.036038797042699e-19 6.9907132200668405e-19 6.92720293829508e-19 6.837336850894019e-19 6.70993176495834e-19 6.52987915482942e-19 6.27402756814596e-19 5.90408498335536e-19 5.35569196506984e-19 4.5273506235255e-19 3.26332938989754e-19 1.367111686966056e-19 -1.9616409836042396e-19 ] } }