{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/cohesive-energy-relation-cubic-crystal" "instance-id" 1 "short-name" { "source-value" [ "fcc" ] } "species" { "source-value" [ "Eu" "Eu" "Eu" "Eu" ] } "a" { "source-value" [ 8.16906 7.621703 7.282473 7.036004 6.842309 6.682727 6.547022 6.428969 6.324502 6.230813 6.145884 6.068218 5.996668 5.930341 5.868527 5.810651 5.75624 5.704902 5.65631 5.610185 5.566287 5.524412 5.484382 5.44604 5.407278 5.367334 5.326133 5.283594 5.239626 5.19413 5.146996 5.098103 5.047313 4.994473 4.939411 4.881932 4.821813 4.758801 4.692603 4.62288 4.549234 4.471198 4.388216 4.299617 4.204586 4.102115 3.99094 3.869443 3.735509 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.16906e-10 7.621703000000001e-10 7.282473000000001e-10 7.036004000000001e-10 6.842309e-10 6.682727e-10 6.547022e-10 6.428969000000001e-10 6.324502e-10 6.230813000000001e-10 6.145884e-10 6.068218e-10 5.996668e-10 5.930341e-10 5.868527e-10 5.810651e-10 5.756240000000001e-10 5.704902e-10 5.65631e-10 5.610185e-10 5.566287e-10 5.524412e-10 5.484382000000001e-10 5.44604e-10 5.407278e-10 5.367334e-10 5.326133e-10 5.283594e-10 5.239626e-10 5.194130000000001e-10 5.146996e-10 5.098103e-10 5.047313e-10 4.994473e-10 4.939411e-10 4.881932e-10 4.821813e-10 4.758801e-10 4.692603e-10 4.6228800000000005e-10 4.549234e-10 4.4711980000000004e-10 4.388216e-10 4.2996169999999995e-10 4.2045860000000003e-10 4.1021150000000004e-10 3.9909400000000005e-10 3.869443e-10 3.735509e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0 0.5 0.5 ] [ 0.5 0 0.5 ] [ 0.5 0.5 0 ] ] } "cohesive-potential-energy" { "source-value" [ 0.581153 0.868359 1.12251 1.35509 1.57118 1.77334 1.96389 2.14321 2.31166 2.46998 2.61803 2.75581 2.88342 3.00098 3.10811 3.2047 3.29062 3.36592 3.43014 3.48309 3.52453 3.55441 3.57283 3.57903 3.57204 3.54865 3.50456 3.43428 3.33083 3.18522 2.98594 2.71831 2.36199 1.89056 1.26877 0.448397 -0.636502 -2.07786 -4.00699 -6.61251 -10.1728 -15.1073 -22.0662 -32.0853 -46.8752 -69.3758 -104.889 -163.533 -266.032 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 9.31109757379002e-20 1.391264499723606e-19 1.7984592934313398e-19 2.1710935349670596e-19 2.5173078838081197e-19 2.8412039121375595e-19 3.1464986697462595e-19 3.4338009837551397e-19 3.7036876377524394e-19 3.9573442424473196e-19 4.19454649311102e-19 4.41529438974354e-19 4.61974815000828e-19 4.80810003510132e-19 4.97974121790174e-19 5.134495458979799e-19 5.27215447537308e-19 5.39279837591328e-19 5.495690159348759e-19 5.580525412119059e-19 5.64691961183202e-19 5.694792649655939e-19 5.72430474325422e-19 5.734238238385019e-19 5.72303902371336e-19 5.6855641122441e-19 5.61492414445104e-19 5.50232317061352e-19 5.33657799782622e-19 5.10328505814948e-19 4.784003298525959e-19 4.3552127659685395e-19 3.78432518774166e-19 3.02901105717504e-19 2.03279364792018e-19 7.184111961556979e-20 -1.019788631894268e-19 -3.3290987407232396e-19 -6.41990575067166e-19 -1.0594409014091339e-18 -1.62986224623552e-18 -2.42045630628282e-18 -3.5353950041170795e-18 -5.140631795488019e-18 -7.51023501540768e-18 -1.1115228572505719e-17 -1.68050704963626e-17 -2.6200875148792197e-17 -4.262302542962879e-17 ] } }