{ "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" [ "Cd" "Cd" "Cd" "Cd" ] } "a" { "source-value" [ 5.94114 5.543062 5.296349 5.117098 4.97623 4.860169 4.761475 4.675618 4.599642 4.531504 4.469738 4.413253 4.361217 4.31298 4.268024 4.225932 4.18636 4.149024 4.113684 4.080138 4.048213 4.017758 3.988645 3.96076 3.941777 3.921798 3.900712 3.878391 3.85468 3.829395 3.802312 3.773154 3.741579 3.707147 3.669292 3.627256 3.579999 3.526038 3.463152 3.387791 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.94114e-10 5.543062000000001e-10 5.296349000000001e-10 5.117098e-10 4.97623e-10 4.860169e-10 4.761475e-10 4.675618e-10 4.5996420000000003e-10 4.531504e-10 4.469738000000001e-10 4.413253e-10 4.361217e-10 4.31298e-10 4.2680239999999995e-10 4.225932e-10 4.18636e-10 4.1490239999999997e-10 4.113684e-10 4.080138e-10 4.0482129999999995e-10 4.017758e-10 3.988645e-10 3.96076e-10 3.941777e-10 3.921798e-10 3.900712e-10 3.8783910000000005e-10 3.8546800000000005e-10 3.829395e-10 3.802312e-10 3.7731540000000003e-10 3.7415790000000003e-10 3.707147e-10 3.669292e-10 3.6272560000000004e-10 3.579999e-10 3.5260379999999997e-10 3.463152e-10 3.387791e-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" [ 0.0510223 0.0762375 0.0985506 0.11897 0.137942 0.15569 0.172419 0.188163 0.202952 0.216852 0.22985 0.241946 0.25315 0.26347 0.272877 0.281357 0.2889 0.295511 0.301149 0.305798 0.309436 0.31206 0.313677 0.314221 0.313948 0.313026 0.311272 0.30844 0.304204 0.298116 0.289559 0.277659 0.261165 0.238232 0.205952 0.159736 0.0919226 -0.0111537 -0.175623 -0.457422 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 8.174673619944385e-21 1.2214594012824001e-20 1.578954672858125e-20 1.9061095257657603e-20 2.2100744742639362e-20 2.49442878092352e-20 2.762456907817152e-20 3.014703594995904e-20 3.251649495446016e-20 3.4743520457372163e-20 3.6826029629088004e-20 3.876402246960768e-20 4.0559101155552e-20 4.22125474282176e-20 4.3719714975404157e-20 4.5078360749842563e-20 4.6286882574912e-20 4.7346081538922885e-20 4.8249388717729925e-20 4.8994240628739844e-20 4.9577112483386883e-20 4.99975236286848e-20 5.025659558826816e-20 5.0343753996439677e-20 5.030001457469184e-20 5.0152293890254086e-20 4.9871272110965763e-20 4.94175356919552e-20 4.8738853675384317e-20 4.776344854864128e-20 4.6392466014222724e-20 4.448587583547072e-20 4.1843245717123197e-20 3.816897407264256e-20 3.299714794070016e-20 2.559252847001088e-20 1.472762406431501e-20 -1.7870197375416964e-21 -2.813790646747584e-20 -7.328708342395777e-20 ] } }