{ "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" [ "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" "Cu" ] } "a" { "source-value" [ 8.5233 7.952207 7.598267 7.34111 7.139017 6.972514 6.830924 6.707753 6.598755 6.501003 6.412392 6.331357 6.256705 6.187502 6.123008 6.062622 6.005851 5.952288 5.901588 5.853463 5.807661 5.763971 5.722204 5.6822 5.654966 5.626303 5.596054 5.564031 5.530015 5.49374 5.454886 5.413056 5.367757 5.318361 5.264052 5.203746 5.135949 5.058536 4.968318 4.860203 4.725291 4.54576 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.523300000000001e-10 7.952207e-10 7.598267e-10 7.34111e-10 7.139017e-10 6.972514000000001e-10 6.830924000000001e-10 6.707753000000001e-10 6.598755e-10 6.501003000000001e-10 6.412392e-10 6.331357e-10 6.256705e-10 6.187502e-10 6.123008e-10 6.062622e-10 6.005851e-10 5.952288000000001e-10 5.901588000000001e-10 5.853463e-10 5.807661e-10 5.763971e-10 5.722203999999999e-10 5.6822e-10 5.654966e-10 5.626303e-10 5.596054e-10 5.564031e-10 5.530015e-10 5.49374e-10 5.454886e-10 5.413056e-10 5.367757000000001e-10 5.318361000000001e-10 5.264052000000001e-10 5.203746e-10 5.135949e-10 5.058536000000001e-10 4.968318e-10 4.860203e-10 4.725291e-10 4.5457599999999996e-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" [ -0.0532373 -0.0131029 0.0678305 0.140131 0.200823 0.25257 0.29707 0.335259 0.367933 0.395969 0.420286 0.441744 0.461055 0.478751 0.495178 0.510524 0.524851 0.538129 0.550269 0.561147 0.570627 0.578039 0.582322 0.583694 0.583045 0.58094 0.577097 0.571169 0.562726 0.551231 0.536034 0.516359 0.491347 0.460125 0.421958 0.376419 0.323366 0.262062 0.187685 0.073579 -0.147735 -0.578225 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ -8.529555741451585e-21 -2.0993160044680322e-21 1.086764412771744e-20 2.2451461204932482e-20 3.217539155189184e-20 4.0466174911545604e-20 4.7595860874105605e-20 5.3714413171278717e-20 5.894936506208065e-20 6.344122743615553e-20 6.733724032495488e-20 7.077519091786753e-20 7.38691541902944e-20 7.670436593846208e-20 7.933626147345024e-20 8.179496171572992e-20 8.409040016035007e-20 8.621777027744833e-20 8.816281269509953e-20 8.990566042320576e-20 9.142452385972417e-20 9.261205717106112e-20 9.329826941774976e-20 9.351808805012353e-20 9.341410678743361e-20 9.30768486087552e-20 9.246113213338177e-20 9.151136183257153e-20 9.015864411163008e-20 8.831694208602049e-20 8.588211427539073e-20 8.272983177396672e-20 7.872246761002176e-20 7.372015176456e-20 6.760512425595264e-20 6.030897214249153e-20 5.180894451616128e-20 4.1986960960008965e-20 3.00704519074848e-20 1.1788655358184322e-20 -2.3669756307388802e-20 -9.264185765620801e-20 ] } }