{ "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" [ 4.86721 4.54109 4.338973 4.192125 4.07672 3.981639 3.900785 3.830448 3.768206 3.712385 3.661784 3.615509 3.572879 3.533361 3.496532 3.462048 3.42963 3.399043 3.370091 3.342609 3.316454 3.291505 3.267654 3.24481 3.229258 3.21289 3.195617 3.17733 3.157905 3.137191 3.115003 3.091116 3.065248 3.037041 3.006028 2.97159 2.932876 2.888669 2.83715 2.775412 2.698371 2.59585 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 4.867210000000001e-10 4.54109e-10 4.3389730000000004e-10 4.192125e-10 4.07672e-10 3.981639e-10 3.900785e-10 3.8304480000000003e-10 3.7682060000000003e-10 3.712385e-10 3.6617840000000003e-10 3.615509e-10 3.572879e-10 3.5333610000000004e-10 3.496532e-10 3.462048e-10 3.42963e-10 3.399043e-10 3.3700910000000003e-10 3.342609e-10 3.3164539999999997e-10 3.291505e-10 3.267654e-10 3.24481e-10 3.2292580000000005e-10 3.21289e-10 3.195617e-10 3.17733e-10 3.157905e-10 3.137191e-10 3.1150030000000005e-10 3.091116e-10 3.065248e-10 3.037041e-10 3.0060280000000004e-10 2.9715900000000003e-10 2.932876e-10 2.888669e-10 2.83715e-10 2.7754120000000003e-10 2.698371e-10 2.59585e-10 ] } "basis-atom-coordinates" { "source-value" [ [ 0 0 0 ] [ 0.5 0.5 0.5 ] ] } "cohesive-potential-energy" { "source-value" [ 0 0 3.05454e-66 2.07759e-05 0.00999715 0.0912259 0.286787 0.578757 0.929213 1.30436 1.67996 2.04044 2.37743 2.68886 2.97608 3.24036 3.4813 3.69707 3.88505 4.04255 4.16725 4.25737 4.31178 4.32994 4.32094 4.29095 4.23473 4.14564 4.01535 3.83322 3.58548 3.25421 2.81567 2.23784 1.4766 0.469716 -0.87357 -2.69102 -5.20252 -8.78429 -14.1459 -22.8399 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 0.0 4.893912575298432e-85 3.328666125607872e-24 1.601720000463072e-21 1.4616000419143873e-20 4.5948342654936966e-20 9.272709345243456e-20 1.4887633443434304e-19 2.0898150971066881e-19 2.691592635879168e-19 3.269145264145152e-19 3.8090627635885443e-19 4.3080286286042882e-19 4.768205797630464e-19 5.191629034975488e-19 5.577657469991041e-19 5.923359119461056e-19 6.22453628063904e-19 6.476879098415041e-19 6.6766705230288e-19 6.821058680095296e-19 6.908233110033024e-19 6.9373286374667515e-19 6.9229090478795525e-19 6.87485977102176e-19 6.784785401400384e-19 6.642047486253313e-19 6.43329989432928e-19 6.1414954663829765e-19 5.744572230345985e-19 5.213819181173568e-19 4.511200645887936e-19 3.585414929091072e-19 2.36577399827328e-19 7.525679936156929e-20 -1.399613430632256e-19 -4.311489330105216e-19 -8.335355913244416e-19 -1.4073984068327234e-18 -2.266423026017472e-18 -3.659355380140992e-18 ] } }