{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "bcc" ] } "species" { "source-value" [ "Cu" "Cu" ] } "a" { "source-value" [ 4.30743 4.018816 3.839945 3.709986 3.607853 3.523708 3.452152 3.389905 3.334821 3.28542 3.240638 3.199685 3.161958 3.126985 3.094392 3.063874 3.035184 3.008115 2.982493 2.958171 2.935025 2.912945 2.891837 2.87162 2.851182 2.83012 2.808395 2.785964 2.762781 2.738791 2.713938 2.688158 2.661377 2.633515 2.604482 2.574174 2.542474 2.509249 2.474343 2.437579 2.398747 2.3576 2.313844 2.267128 2.217019 2.162988 2.104366 2.040302 1.969681 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.3074300000000003e-10 4.0188160000000006e-10 3.839945e-10 3.709986e-10 3.607853e-10 3.5237080000000004e-10 3.452152e-10 3.3899050000000004e-10 3.334821e-10 3.28542e-10 3.2406380000000004e-10 3.199685e-10 3.161958e-10 3.126985e-10 3.094392e-10 3.063874e-10 3.035184e-10 3.0081150000000003e-10 2.982493e-10 2.958171e-10 2.935025e-10 2.912945e-10 2.891837e-10 2.8716200000000004e-10 2.8511820000000004e-10 2.83012e-10 2.8083950000000003e-10 2.785964e-10 2.762781e-10 2.738791e-10 2.7139380000000005e-10 2.688158e-10 2.661377e-10 2.6335150000000004e-10 2.604482e-10 2.574174e-10 2.542474e-10 2.509249e-10 2.474343e-10 2.437579e-10 2.398747e-10 2.3576e-10 2.3138440000000001e-10 2.267128e-10 2.217019e-10 2.162988e-10 2.1043660000000003e-10 2.040302e-10 1.969681e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0.897662 1.34391 1.67915 1.94772 2.17235 2.36381 2.5324 2.68086 2.81104 2.92551 3.02629 3.11391 3.18721 3.25084 3.30562 3.3523 3.39153 3.42387 3.45007 3.47251 3.48941 3.50111 3.50793 3.51015 3.50798 3.50101 3.48793 3.46768 3.43831 3.39853 3.3469 3.28124 3.19889 3.09667 2.97064 2.81595 2.6266 2.39507 2.11072 1.76043 1.32958 0.797253 0.135626 -0.698887 -1.79202 -3.25023 -5.2376 -8.00329 -11.9409 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.438213081629708e-19 2.1531812001989398e-19 2.6902948949810996e-19 3.12059147357448e-19 3.4804884108698993e-19 3.78724114921554e-19 4.0573521079416e-19 4.29521125102524e-19 4.50378260523936e-19 4.687183764533339e-19 4.84865112570786e-19 4.98903384237894e-19 5.10647338965114e-19 5.20841988887256e-19 5.29618712488308e-19 5.3709767301582e-19 5.433830119510019e-19 5.48564451185358e-19 5.52762153966438e-19 5.5635743833313395e-19 5.590651168445939e-19 5.60939663506374e-19 5.62032347970762e-19 5.6238803118351e-19 5.620403588539319e-19 5.60923641740034e-19 5.588279947027619e-19 5.555835870189119e-19 5.508779942448539e-19 5.44504535594802e-19 5.3623249763346e-19 5.25712605854616e-19 5.125186812736259e-19 4.961412317208779e-19 4.759489996025759e-19 4.511649292512299e-19 4.208277146864399e-19 3.83732519079438e-19 3.38174626491648e-19 2.8205198117926197e-19 2.1302220090337198e-19 1.2773401279864018e-19 2.17296808162884e-20 -1.119740421206358e-19 -2.8711325716606796e-19 -5.20744256112582e-19 -8.391560338238399e-19 -1.2822684233125858e-18 -1.91314309689306e-18 ] } }