{ "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" [ "Rn" "Rn" ] } "a" { "source-value" [ 4.95309 4.621215 4.415532 4.266092 4.14865 4.051892 3.969611 3.898033 3.834692 3.777886 3.726392 3.679301 3.635918 3.595703 3.558224 3.523132 3.490141 3.459014 3.429552 3.401585 3.374969 3.349579 3.325307 3.30206 3.278558 3.254339 3.229358 3.203565 3.176906 3.149321 3.120743 3.091098 3.060302 3.028264 2.994879 2.960028 2.923577 2.885371 2.845234 2.802959 2.758306 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.95309e-10 4.6212150000000007e-10 4.415532e-10 4.2660920000000004e-10 4.14865e-10 4.051892e-10 3.9696110000000003e-10 3.898033e-10 3.834692e-10 3.777886e-10 3.726392e-10 3.679301e-10 3.6359180000000004e-10 3.595703e-10 3.558224e-10 3.523132e-10 3.490141e-10 3.459014e-10 3.4295520000000004e-10 3.401585e-10 3.374969e-10 3.349579e-10 3.325307e-10 3.30206e-10 3.278558e-10 3.254339e-10 3.2293580000000003e-10 3.2035650000000004e-10 3.176906e-10 3.149321e-10 3.120743e-10 3.091098e-10 3.0603020000000004e-10 3.028264e-10 2.994879e-10 2.9600279999999997e-10 2.923577e-10 2.885371e-10 2.845234e-10 2.802959e-10 2.758306e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0.0277145 0.0414794 0.0536055 0.0647103 0.0750339 0.0847247 0.0938407 0.102411 0.110462 0.118011 0.125076 0.131652 0.137737 0.143345 0.148476 0.153121 0.157255 0.16087 0.163957 0.166505 0.168507 0.169957 0.170837 0.171132 0.170798 0.169685 0.167591 0.164258 0.159346 0.152424 0.142939 0.130169 0.113169 0.0906761 0.0609985 0.0218777 -0.0298592 -0.0986357 -0.190685 -0.315012 -0.484897 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 4.440352432299299e-21 6.64573254723396e-21 8.5885479553887e-21 1.036773306391302e-20 1.2021756133789259e-20 1.357439346626598e-20 1.503493768582038e-20 1.64080511264574e-20 1.76979635344908e-20 1.89074466754974e-20 2.00393844674184e-20 2.1092975821936796e-20 2.20679003037258e-20 2.2966400960073e-20 2.37884777909784e-20 2.45326888374714e-20 2.5195028657966998e-20 2.5774215511158e-20 2.6268807438073797e-20 2.6677042044416997e-20 2.6997797806543796e-20 2.72301134184738e-20 2.7371104962265795e-20 2.74183691729688e-20 2.7364856473393197e-20 2.7186534214029e-20 2.6851038426869396e-20 2.6317032954757197e-20 2.5530043792136397e-20 2.44210171260816e-20 2.29013525887326e-20 2.08553730271146e-20 1.81316727493146e-20 1.4527912868224737e-20 9.7730371409049e-21 3.5051939745661794e-21 -4.78397125499328e-21 -1.580318138182338e-20 -3.0551105145428997e-20 -5.04704865829608e-20 -7.76890643296698e-20 ] } }