{ "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" [ "W" "W" "W" "W" "W" "W" "W" "W" ] } "a" { "source-value" [ 9.23911 8.620056 8.236391 7.957638 7.738572 7.558087 7.404606 7.27109 7.152939 7.046978 6.950925 6.863085 6.782163 6.707149 6.637238 6.57178 6.510242 6.45218 6.397223 6.345056 6.295408 6.248048 6.202774 6.15941 6.115571 6.070395 6.023797 5.975685 5.925958 5.874503 5.821196 5.765898 5.708455 5.648693 5.586419 5.521411 5.453417 5.382152 5.307283 5.228426 5.145134 5.056877 4.963025 4.862821 4.755342 4.639449 4.513711 4.376299 4.224822 4.056068 3.865582 3.64693 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.239110000000001e-10 8.620056e-10 8.236391e-10 7.957638e-10 7.738572e-10 7.558087000000001e-10 7.404606e-10 7.271090000000001e-10 7.152939e-10 7.046978000000001e-10 6.950925e-10 6.863085e-10 6.782163e-10 6.707149000000001e-10 6.637238e-10 6.571780000000001e-10 6.510242e-10 6.452180000000001e-10 6.397223e-10 6.345056e-10 6.295408e-10 6.248048e-10 6.202774000000001e-10 6.159410000000001e-10 6.115571e-10 6.070395000000001e-10 6.023797e-10 5.975685000000001e-10 5.925958e-10 5.874503e-10 5.821196e-10 5.765898e-10 5.708455e-10 5.648693e-10 5.586419e-10 5.521411e-10 5.453417e-10 5.382151999999999e-10 5.307283000000001e-10 5.228426e-10 5.145134e-10 5.056877e-10 4.963025e-10 4.862821e-10 4.755342e-10 4.639449e-10 4.513711e-10 4.3762990000000004e-10 4.224822e-10 4.0560679999999997e-10 3.865582e-10 3.64693e-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" [ 1.63824 2.41121 3.01806 3.50415 3.89886 4.21071 4.43866 4.61106 4.74618 4.86076 4.97276 5.09234 5.21647 5.33634 5.44572 5.54158 5.62303 5.68802 5.73891 5.77831 5.80826 5.8304 5.84592 5.85237 5.84336 5.81062 5.74843 5.66271 5.56361 5.46175 5.35982 5.25692 5.15116 5.03814 4.91375 4.77553 4.62097 4.44463 4.23231 3.96975 3.63944 3.21872 2.68257 1.99868 1.13253 -0.0315415 -1.65946 -3.86675 -7.22634 -12.4917 -20.8676 -35.3711 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.6247498488841595e-19 3.86318432166714e-19 4.83546521201004e-19 5.6142672520311e-19 6.24666239123724e-19 6.746301174550139e-19 7.111517338270439e-19 7.38773258997204e-19 7.6042186967581195e-19 7.787796095481839e-19 7.967239878489839e-19 8.15882816038356e-19 8.35770634596198e-19 8.549759259079559e-19 8.72500533930648e-19 8.87858999144172e-19 9.00908727828102e-19 9.11321273772468e-19 9.19474750662894e-19 9.25787326600854e-19 9.30585845619684e-19 9.3413306468736e-19 9.36619642823328e-19 9.376530467522578e-19 9.362094856050238e-19 9.30963959305308e-19 9.210000228184618e-19 9.07266164711814e-19 8.913885942688739e-19 8.7506882307495e-19 8.5873783664458795e-19 8.42251439080728e-19 8.253068189995439e-19 8.07199018682076e-19 7.8726954353174995e-19 7.65124258096602e-19 7.40361016041498e-19 7.12108233277542e-19 6.780908189844539e-19 6.360240692821499e-19 5.83102572884496e-19 5.156957975388479e-19 4.29795097306938e-19 3.20223839484312e-19 1.81451310330402e-19 -5.0535054301311e-21 -2.65874803705764e-19 -6.1952164995195e-19 -1.157787309733956e-18 -2.0013909858937797e-18 -3.3433581127658398e-18 -5.66707499388774e-18 ] } }