{ "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" [ "C" "C" ] } "a" { "source-value" [ 3.22809 3.011796 2.877746 2.780351 2.703811 2.64075 2.587124 2.540475 2.499193 2.462171 2.428611 2.39792 2.369646 2.343437 2.31901 2.29614 2.274639 2.254352 2.235151 2.216924 2.199577 2.18303 2.167211 2.15206 2.136743 2.120959 2.104678 2.087868 2.070493 2.052515 2.03389 2.014569 1.994499 1.973618 1.95186 1.929147 1.90539 1.88049 1.854331 1.82678 1.797678 1.766841 1.73405 1.699039 1.661487 1.620994 1.577062 1.529051 1.476126 1.417164 1.350609 1.274214 1.184552 1.07603 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 3.22809e-10 3.011796e-10 2.8777460000000005e-10 2.780351e-10 2.703811e-10 2.6407500000000004e-10 2.587124e-10 2.540475e-10 2.499193e-10 2.462171e-10 2.428611e-10 2.39792e-10 2.369646e-10 2.3434370000000003e-10 2.31901e-10 2.29614e-10 2.274639e-10 2.254352e-10 2.235151e-10 2.2169240000000003e-10 2.1995770000000003e-10 2.18303e-10 2.1672110000000002e-10 2.1520600000000002e-10 2.1367430000000002e-10 2.120959e-10 2.104678e-10 2.087868e-10 2.070493e-10 2.0525150000000003e-10 2.03389e-10 2.014569e-10 1.9944990000000001e-10 1.973618e-10 1.95186e-10 1.929147e-10 1.9053899999999999e-10 1.88049e-10 1.854331e-10 1.8267800000000002e-10 1.797678e-10 1.7668410000000002e-10 1.73405e-10 1.699039e-10 1.661487e-10 1.620994e-10 1.577062e-10 1.529051e-10 1.4761260000000002e-10 1.4171640000000002e-10 1.350609e-10 1.274214e-10 1.1845520000000002e-10 1.0760300000000001e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0 0 0 0 0 0 0 0 0 0 0 0.13993 0.538441 1.05026 1.57782 2.06681 2.49099 2.84082 3.11627 3.32261 3.4677 3.56045 3.60988 3.62457 3.61106 3.57235 3.51213 3.41954 3.25128 2.99262 2.63708 2.18321 1.63132 0.98077 0.228323 -0.632506 -1.61022 -2.71244 -3.94189 -5.29101 -6.73688 -8.38587 -10.3923 -12.8593 -15.929 -19.8024 -24.7701 -31.2655 -40.0383 -56.419 -82.7267 -117.604 -180.931 -305.501 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 0.0 2.2419257639562e-20 8.626775889875938e-20 1.6827020316248397e-19 2.52794633665788e-19 3.3113946889175394e-19 3.99100597352766e-19 4.55149542539988e-19 4.99281497923518e-19 5.32340810589474e-19 5.555867913721799e-19 5.7044697965252995e-19 5.78366538754392e-19 5.8072013622973795e-19 5.78555595597204e-19 5.7235356984699e-19 5.627052621570419e-19 5.47870708702836e-19 5.20912484659152e-19 4.79470583844108e-19 4.22506795798872e-19 3.4978880491151394e-19 2.61366278657688e-19 1.57136677732818e-19 3.6581377560478196e-20 -1.013386334064804e-19 -2.57985685959948e-19 -4.34580798912696e-19 -6.315604051798259e-19 -8.477132592260339e-19 -1.079367172206192e-18 -1.343564496976158e-18 -1.66503002335182e-18 -2.06028699895962e-18 -2.5521071602986e-18 -3.1726942577121594e-18 -3.96860754418434e-18 -5.0092853550326994e-18 -6.414842872508219e-18 -9.0393203513646e-18 -1.3254278574792778e-17 -1.88422380864936e-17 -2.89883420566254e-17 -4.894665638636339e-17 ] } }