{ "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" [ "Li" "Li" "Li" "Li" "Li" "Li" "Li" "Li" ] } "a" { "source-value" [ 9.58869 8.946212 8.54803 8.25873 8.031375 7.84406 7.684772 7.546204 7.423582 7.313612 7.213924 7.12276 7.038777 6.960924 6.888368 6.820433 6.756567 6.696308 6.639271 6.58513 6.533604 6.484452 6.437465 6.39246 6.346962 6.300077 6.251716 6.201783 6.150175 6.096773 6.041448 5.984058 5.924441 5.862419 5.797788 5.73032 5.659754 5.585792 5.50809 5.42625 5.339806 5.248209 5.150806 5.046811 4.935265 4.814986 4.684491 4.541879 4.384671 4.209531 4.011838 3.784913 3.518583 3.19623 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.58869e-10 8.946211999999999e-10 8.548030000000001e-10 8.25873e-10 8.031375000000001e-10 7.844060000000001e-10 7.684772e-10 7.546204e-10 7.423582e-10 7.313612e-10 7.213924e-10 7.122760000000001e-10 7.038776999999999e-10 6.960924000000001e-10 6.888368e-10 6.820433000000001e-10 6.756567000000001e-10 6.696308e-10 6.639271e-10 6.585130000000001e-10 6.533604e-10 6.484452e-10 6.437465000000001e-10 6.39246e-10 6.346962e-10 6.300077e-10 6.251716e-10 6.201783e-10 6.150175e-10 6.096773e-10 6.041448e-10 5.984058e-10 5.924441e-10 5.862419e-10 5.797788e-10 5.730320000000001e-10 5.659754e-10 5.585792e-10 5.508090000000001e-10 5.42625e-10 5.339806e-10 5.248209e-10 5.150806e-10 5.046811e-10 4.935265000000001e-10 4.814986e-10 4.684491000000001e-10 4.541879e-10 4.384671e-10 4.2095310000000004e-10 4.0118380000000003e-10 3.784913e-10 3.5185830000000004e-10 3.19623e-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" [ 0.847272 0.966277 1.04068 1.09366 1.13391 1.16569 1.19142 1.2126 1.23024 1.24505 1.25756 1.26814 1.2771 1.28467 1.29104 1.29637 1.30078 1.30438 1.30726 1.30948 1.31113 1.31224 1.31288 1.31309 1.31287 1.31219 1.31098 1.30917 1.30668 1.3034 1.29922 1.29402 1.28764 1.27989 1.27055 1.25936 1.246 1.2301 1.21116 1.18863 1.16175 1.12963 1.09108 1.04458 0.988137 0.919064 0.833689 0.72686 0.591116 0.415206 0.181366 -0.140185 -0.603731 -1.32191 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.357479401042448e-19 1.548146431371618e-19 1.66735317947112e-19 1.75223649754044e-19 1.81672410705894e-19 1.8676412804874597e-19 1.9088652852802797e-19 1.9427993863883997e-19 1.9710617822121599e-19 1.9947900181617e-19 2.0148332478530398e-19 2.03178427664076e-19 2.0461397792813997e-19 2.0582682564007798e-19 2.0684741215593598e-19 2.0770137230185798e-19 2.08407932197452e-19 2.08984715785692e-19 2.09446142656284e-19 2.09801825869032e-19 2.1006618501364198e-19 2.10244026620016e-19 2.10346565924592e-19 2.10380211633906e-19 2.10344963747958e-19 2.1023601573684599e-19 2.1004215236413199e-19 2.0975215839337797e-19 2.09353216411512e-19 2.0882770247555996e-19 2.08157992642548e-19 2.0732486079286798e-19 2.0630267210037596e-19 2.0506098520902598e-19 2.0356455223287e-19 2.0177171657942398e-19 1.9963120859639998e-19 1.9708374774833999e-19 1.94049225203544e-19 1.90439521247142e-19 1.8613287045495e-19 1.8098667910654199e-19 1.74810288182472e-19 1.67360166834372e-19 1.583170012590858e-19 1.4725028659505758e-19 1.335717035822826e-19 1.16455810818924e-19 9.470722431835439e-20 6.65233351496604e-20 2.90580367402044e-20 -2.2460113143729e-20 -9.67283701421454e-20 -2.1179333142509397e-19 ] } }