{ "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" [ "Te" "Te" "Te" "Te" "Te" "Te" "Te" "Te" ] } "a" { "source-value" [ 9.9102 9.24618 8.834647 8.535646 8.300668 8.107072 7.942443 7.799229 7.672496 7.558838 7.455808 7.361588 7.274788 7.194325 7.119336 7.049123 6.983115 6.920836 6.861887 6.80593 6.752676 6.701876 6.653314 6.6068 6.559777 6.511319 6.461336 6.40973 6.356391 6.301198 6.244019 6.184704 6.123089 6.058987 5.992189 5.922458 5.849526 5.773084 5.692777 5.608193 5.51885 5.424182 5.323513 5.216031 5.100745 4.976434 4.841562 4.694169 4.531689 4.350677 4.146356 3.911821 3.636562 3.3034 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 9.9102e-10 9.246180000000001e-10 8.834647e-10 8.535646e-10 8.300668e-10 8.107072000000001e-10 7.942443000000001e-10 7.799229e-10 7.672496e-10 7.558838e-10 7.455808000000001e-10 7.361588e-10 7.274788e-10 7.194325e-10 7.119336e-10 7.049123e-10 6.983115e-10 6.920836000000001e-10 6.861887000000001e-10 6.80593e-10 6.752676e-10 6.701876000000001e-10 6.653314e-10 6.6068e-10 6.559777e-10 6.511319000000001e-10 6.461336e-10 6.40973e-10 6.356391e-10 6.301198e-10 6.244019e-10 6.184704000000001e-10 6.123089000000001e-10 6.058987e-10 5.992189e-10 5.922458e-10 5.849526e-10 5.773084000000001e-10 5.692777e-10 5.608193e-10 5.51885e-10 5.424182e-10 5.323513e-10 5.216031e-10 5.100745e-10 4.976434e-10 4.841561999999999e-10 4.694169e-10 4.531689e-10 4.350677e-10 4.146356e-10 3.9118210000000004e-10 3.6365620000000004e-10 3.3034e-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" [ 0.000241 0.114221 0.391836 0.679074 0.93204 1.14667 1.32744 1.47985 1.60875 1.71809 1.81103 1.8901 1.95731 2.0143 2.0624 2.10272 2.13617 2.16352 2.18542 2.20243 2.21502 2.22359 2.22851 2.23009 2.22843 2.22315 2.21375 2.19962 2.18008 2.1543 2.12134 2.08005 2.02912 1.96745 1.89463 1.8098 1.70816 1.57677 1.39143 1.11469 0.694183 0.0604948 -0.875918 -2.22903 -4.14216 -6.83582 -10.8056 -17.0235 -27.013 -42.9123 -67.697 -107.215 -176.965 -326.388 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 3.8612456879399996e-23 1.83002217312114e-20 6.27790483560024e-20 1.087996495556916e-19 1.4932927099533599e-19 1.83716788090878e-19 2.1267933510369598e-19 2.3709810918249e-19 2.5775016599474995e-19 2.7526836531090594e-19 2.90158994947302e-19 3.0282740559234e-19 3.13595634749454e-19 3.2272643938661995e-19 3.304329089961599e-19 3.36892885184448e-19 3.4225216602517795e-19 3.46634119119168e-19 3.50142885947628e-19 3.52868188402062e-19 3.5488532878426797e-19 3.5625839415960603e-19 3.5704666506353398e-19 3.57299808971706e-19 3.57033847650462e-19 3.5618789838770995e-19 3.5468185235175e-19 3.52417976767908e-19 3.4928732362507195e-19 3.4515691226262e-19 3.3987613807695596e-19 3.3326075075516998e-19 3.2510086515820795e-19 3.1522024185633e-19 3.0355319160754197e-19 2.8996192722131997e-19 2.7367740391334396e-19 2.52626405119218e-19 2.2293166338466197e-19 1.7859302721534597e-19 1.1122037823200218e-19 9.69233550385032e-21 -1.4033753529000118e-19 -3.5712997824850195e-19 -6.636471966289439e-19 -1.095219107822988e-18 -1.7312479836350398e-18 -2.7274653928898994e-18 -4.3279597414242e-18 -6.87530843711982e-18 -1.0846255159189799e-17 -1.7177736781431e-17 -2.8352918803581e-17 -5.2293122721799195e-17 ] } }