{ "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" [ "Ca" "Ca" ] } "a" { "source-value" [ 5.81161 5.422211 5.180878 5.005536 4.867738 4.754209 4.657666 4.573682 4.499362 4.43271 4.372291 4.317037 4.266135 4.21895 4.174974 4.1338 4.095091 4.058569 4.024 3.991185 3.959956 3.930165 3.901687 3.87441 3.846834 3.818417 3.789106 3.758843 3.727563 3.695197 3.661666 3.626882 3.590749 3.553158 3.513986 3.473094 3.430325 3.385497 3.338403 3.288801 3.236408 3.180892 3.121857 3.058827 2.99122 2.918321 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.81161e-10 5.422211000000001e-10 5.180878e-10 5.005536e-10 4.867738e-10 4.754209000000001e-10 4.657666e-10 4.573682e-10 4.499362e-10 4.43271e-10 4.3722909999999997e-10 4.317037e-10 4.266135e-10 4.2189500000000007e-10 4.174974e-10 4.1338e-10 4.0950910000000004e-10 4.0585690000000003e-10 4.0240000000000003e-10 3.9911850000000005e-10 3.959956e-10 3.930165e-10 3.901687e-10 3.87441e-10 3.846834e-10 3.818417e-10 3.789106e-10 3.758843e-10 3.727563e-10 3.695197e-10 3.661666e-10 3.626882e-10 3.5907490000000004e-10 3.5531579999999997e-10 3.513986e-10 3.4730940000000003e-10 3.4303249999999997e-10 3.385497e-10 3.338403e-10 3.288801e-10 3.2364080000000003e-10 3.1808920000000004e-10 3.121857e-10 3.058827e-10 2.99122e-10 2.918321e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0.171036 0.255984 0.330818 0.39935 0.46306 0.522865 0.579123 0.632012 0.681699 0.728286 0.771889 0.812467 0.85002 0.884629 0.916298 0.944962 0.970476 0.992785 1.01183 1.02756 1.03991 1.04887 1.05429 1.05612 1.05406 1.04718 1.03427 1.0137 0.983382 0.940668 0.882135 0.803329 0.698419 0.559611 0.376462 0.135038 -0.184242 -0.608675 -1.17673 -1.94397 -2.99238 -4.44564 -6.4954 -9.44689 -13.8037 -20.4323 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 2.7402988277282396e-20 4.1013158347785596e-20 5.30028869706612e-20 6.398292387879e-20 7.419039121400399e-20 8.3772208573641e-20 9.27857338811982e-20 1.0125948588076079e-19 1.092202209221166e-19 1.166842812069324e-19 1.236702519841626e-19 1.301715643296078e-19 1.3618821824326799e-19 1.417331913558786e-19 1.4680712453809317e-19 1.513996036417908e-19 1.554873971057784e-19 1.59061692958569e-19 1.62113038358022e-19 1.64633262203304e-19 1.6661195034629397e-19 1.6804750061035798e-19 1.6891588034598599e-19 1.69209078670008e-19 1.6887903028340398e-19 1.67776732759212e-19 1.65708322724718e-19 1.6241264538858e-19 1.5755516626961877e-19 1.5071162899515117e-19 1.41333608503359e-19 1.2870749532145857e-19 1.118990602541646e-19 8.965956683293739e-20 6.03158619988908e-20 2.1635472830209197e-20 -2.9518822740142797e-20 -9.752048626999498e-20 -1.88532931052682e-19 -3.11458331119698e-19 -4.794321316048919e-19 -7.12270053117576e-19 -1.04067781084836e-18 -1.5135586421968258e-18 -2.2115965602745796e-18 -3.27361536388782e-18 ] } }