{ "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" [ 5.28593 4.931752 4.712247 4.552765 4.427432 4.324171 4.23636 4.159973 4.092375 4.031752 3.976797 3.926541 3.880244 3.837326 3.797328 3.759878 3.72467 3.691452 3.660009 3.630163 3.601758 3.574662 3.54876 3.52395 3.50706 3.489284 3.470524 3.450665 3.429569 3.407072 3.382976 3.357034 3.32894 3.298306 3.264626 3.227225 3.18518 3.13717 3.081219 3.01417 2.930501 2.81916 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.28593e-10 4.931752000000001e-10 4.712247e-10 4.552765e-10 4.427432e-10 4.324171e-10 4.2363600000000007e-10 4.1599730000000003e-10 4.092375e-10 4.031752e-10 3.976797e-10 3.926541e-10 3.880244e-10 3.8373260000000003e-10 3.797328e-10 3.7598780000000003e-10 3.7246700000000003e-10 3.6914520000000003e-10 3.660009e-10 3.630163e-10 3.601758e-10 3.5746620000000004e-10 3.5487600000000004e-10 3.52395e-10 3.5070600000000004e-10 3.489284e-10 3.4705240000000005e-10 3.450665e-10 3.429569e-10 3.407072e-10 3.382976e-10 3.3570340000000004e-10 3.32894e-10 3.298306e-10 3.264626e-10 3.2272249999999997e-10 3.18518e-10 3.13717e-10 3.081219e-10 3.01417e-10 2.930501e-10 2.81916e-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" [ 1.6691 2.19787 2.59602 2.93202 3.20648 3.42113 3.58701 3.71642 3.81943 3.90388 3.97578 4.03948 4.09778 4.15203 4.20255 4.24905 4.29098 4.32786 4.35942 4.38559 4.40612 4.4207 4.4293 4.4321 4.43076 4.4264 4.41844 4.40622 4.38893 4.36562 4.3351 4.29584 4.24582 4.1822 4.10077 3.99505 3.85464 3.66249 3.39022 2.98924 2.36619 1.27389 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.6741930198093997e-19 3.52137595856958e-19 4.15928258539668e-19 4.69761393442068e-19 5.137347333388319e-19 5.4812545478764195e-19 5.74702360792434e-19 5.954361286130279e-19 6.119401501198619e-19 6.25470531793992e-19 6.369901817924519e-19 6.4719604695103195e-19 6.56536736727252e-19 6.65228544966702e-19 6.733227413216699e-19 6.8077286266977e-19 6.874907892961319e-19 6.93399616722324e-19 6.984560861792279e-19 7.026489824304059e-19 7.059382510600079e-19 7.0827422459238e-19 7.096520964976199e-19 7.101007059551399e-19 7.09886014286184e-19 7.0918746527376e-19 7.07912132673096e-19 7.05954272826348e-19 7.03184109426162e-19 6.9944943569230795e-19 6.945595926053399e-19 6.882694471402559e-19 6.80255359616988e-19 6.700623118714799e-19 6.570157875408179e-19 6.400775761661699e-19 6.175814140481759e-19 5.86795590025866e-19 5.43173126811948e-19 4.78929048141816e-19 3.7910543296044596e-19 2.04099679228626e-19 ] } }