{ "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" [ "Si" "Si" ] } "a" { "source-value" [ 4.62652 4.316527 4.124405 3.984819 3.875121 3.784742 3.707886 3.641028 3.581863 3.528803 3.480704 3.436717 3.396196 3.358632 3.323624 3.290846 3.26003 3.230956 3.203436 3.177313 3.152451 3.128736 3.106065 3.08435 3.069567 3.054009 3.037589 3.020207 3.001743 2.982052 2.960962 2.938256 2.913667 2.886855 2.857376 2.824641 2.78784 2.745819 2.696848 2.638163 2.564931 2.46748 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.62652e-10 4.316527e-10 4.1244050000000003e-10 3.984819e-10 3.8751210000000004e-10 3.7847420000000003e-10 3.707886e-10 3.6410280000000003e-10 3.581863e-10 3.528803e-10 3.480704e-10 3.436717e-10 3.3961960000000004e-10 3.358632e-10 3.323624e-10 3.2908460000000003e-10 3.26003e-10 3.230956e-10 3.203436e-10 3.177313e-10 3.152451e-10 3.128736e-10 3.106065e-10 3.0843500000000003e-10 3.0695670000000003e-10 3.0540090000000003e-10 3.037589e-10 3.020207e-10 3.001743e-10 2.982052e-10 2.960962e-10 2.938256e-10 2.913667e-10 2.8868550000000003e-10 2.857376e-10 2.8246410000000004e-10 2.7878400000000003e-10 2.7458190000000003e-10 2.696848e-10 2.6381630000000004e-10 2.564931e-10 2.4674800000000004e-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 0.0945958 0.550271 1.20758 1.90522 2.5441 3.0771 3.49125 3.79281 3.99677 4.12056 4.18039 4.19457 4.19768 4.19617 4.19122 4.18202 4.16759 4.14662 4.10567 4.0195 3.87448 3.65668 3.35143 2.94203 2.40835 1.72788 0.88504 -0.102011 -1.39838 -3.44775 -7.09728 ] "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 1.5155918043453717e-20 8.816313385678139e-20 1.93475645968572e-19 3.0524989666294797e-19 4.0760975745593994e-19 4.9300577204814e-19 5.593599173452499e-19 6.07675155920154e-19 6.40353150547218e-19 6.60186495099504e-19 6.69772317900726e-19 6.720442043677379e-19 6.72542481300912e-19 6.72300552629178e-19 6.71507475195348e-19 6.700334726920679e-19 6.677215318092059e-19 6.64361767407708e-19 6.57800854091478e-19 6.439948980363e-19 6.20760132490032e-19 5.85864725401512e-19 5.36958283648662e-19 4.71365172252702e-19 3.8586020964938997e-19 2.7683689623559197e-19 1.41799040815536e-19 -1.63439640610974e-20 -2.24045176145292e-19 -5.523904489873499e-19 -1.137109618095552e-18 ] } }