{ "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" [ "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" "Cr" ] } "a" { "source-value" [ 8.17593 7.628112 7.288597 7.041921 6.848064 6.688347 6.552527 6.434376 6.329821 6.236053 6.151053 6.073321 6.001711 5.935329 5.873463 5.815537 5.76108 5.7097 5.661067 5.614903 5.570968 5.529058 5.488994 5.45062 5.411826 5.371848 5.330612 5.288037 5.244032 5.198498 5.151325 5.10239 5.051557 4.998673 4.943565 4.886037 4.825868 4.762803 4.696549 4.626767 4.55306 4.474958 4.391906 4.303233 4.208122 4.105565 3.994296 3.872697 3.73865 3.589315 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 8.17593e-10 7.628112e-10 7.288597e-10 7.041921000000001e-10 6.848064e-10 6.688347e-10 6.552527e-10 6.434376000000001e-10 6.329821e-10 6.236053e-10 6.151053e-10 6.073321000000001e-10 6.001711e-10 5.935329e-10 5.873463e-10 5.815537000000001e-10 5.76108e-10 5.7097e-10 5.661067e-10 5.614903e-10 5.570968e-10 5.529058e-10 5.488994000000001e-10 5.45062e-10 5.411826e-10 5.371848e-10 5.330612000000001e-10 5.288037e-10 5.244032e-10 5.198498e-10 5.151325e-10 5.10239e-10 5.051557e-10 4.998673e-10 4.943565000000001e-10 4.886037e-10 4.825868e-10 4.762803e-10 4.696549e-10 4.6267670000000003e-10 4.5530600000000007e-10 4.474958e-10 4.391906e-10 4.303233e-10 4.2081220000000005e-10 4.1055650000000005e-10 3.994296e-10 3.872697e-10 3.73865e-10 3.5893150000000003e-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" [ 0.682009 0.933538 1.10641 1.20348 1.29027 1.38891 1.49731 1.60219 1.69278 1.76574 1.82136 1.86345 1.89584 1.92132 1.94196 1.95925 1.97427 1.98778 2.00016 2.01124 2.02049 2.02745 2.03176 2.03323 2.03155 2.02597 2.01576 2.00019 1.97845 1.94964 1.91276 1.86682 1.81103 1.74454 1.6664 1.57511 1.4688 1.34562 1.20256 1.03648 0.840258 0.576581 0.179963 -0.446291 -1.45186 -3.06986 -5.65285 -9.82862 -16.807 -29.5028 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 1.092698883977706e-19 1.495692770551092e-19 1.7726642496239398e-19 1.92818753548632e-19 2.06724044555118e-19 2.22527914872894e-19 2.3989550958545396e-19 2.56699138122846e-19 2.7121325625025197e-19 2.82902736971916e-19 2.9181404341022397e-19 2.9855760486273e-19 3.03747054980256e-19 3.0782940104368794e-19 3.11136293616264e-19 3.1390645701644995e-19 3.1631292632071796e-19 3.18477466953252e-19 3.20460961626144e-19 3.2223617333661596e-19 3.23718186723066e-19 3.2483330166032996e-19 3.2552383978958395e-19 3.25759359754782e-19 3.2549019408027e-19 3.24596179518498e-19 3.22960357175184e-19 3.2046576815604594e-19 3.1698263615373e-19 3.12366765271176e-19 3.0645793784498397e-19 2.9909753838838795e-19 2.90158994947302e-19 2.79506122507836e-19 2.6698671428976e-19 2.52360443797974e-19 2.3532770400192e-19 2.15592092224308e-19 1.92671353298304e-19 1.66062403760832e-19 1.3462417341315718e-19 9.23784605808354e-20 2.88332513584542e-20 -7.15037012164494e-20 -2.32613616783924e-19 -4.918457961651239e-19 -9.056864185506899e-19 -1.574718530846508e-18 -2.6927782687637995e-18 -4.72686967975752e-18 ] } }