{ "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" [ "Si" "Si" "Si" "Si" ] } "a" { "source-value" [ 5.49247 5.124455 4.896374 4.730661 4.60043 4.493135 4.401894 4.322522 4.252283 4.189291 4.13219 4.079971 4.031864 3.98727 3.945709 3.906796 3.870212 3.835696 3.803025 3.772013 3.742498 3.714343 3.687429 3.66165 3.6441 3.62563 3.606137 3.585501 3.563581 3.540205 3.515167 3.488211 3.45902 3.427189 3.392193 3.353331 3.309642 3.259756 3.201619 3.13195 3.045011 2.92932 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 5.49247e-10 5.124455e-10 4.896374e-10 4.730661e-10 4.60043e-10 4.493135e-10 4.401894000000001e-10 4.322522e-10 4.2522830000000007e-10 4.189291e-10 4.13219e-10 4.079971e-10 4.0318639999999997e-10 3.98727e-10 3.945709e-10 3.906796e-10 3.870212e-10 3.8356960000000003e-10 3.803025e-10 3.772013e-10 3.742498e-10 3.714343e-10 3.687429e-10 3.66165e-10 3.6441e-10 3.62563e-10 3.606137e-10 3.585501e-10 3.563581e-10 3.540205e-10 3.515167e-10 3.4882110000000003e-10 3.4590200000000003e-10 3.427189e-10 3.392193e-10 3.3533309999999997e-10 3.309642e-10 3.259756e-10 3.201619e-10 3.1319499999999997e-10 3.045011e-10 2.92932e-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 0 0 0 0 2.18765 2.33926 2.47311 2.59173 2.69706 2.79057 2.87348 2.94676 3.01121 3.06754 3.11632 3.15806 3.19319 3.22211 3.24516 3.26265 3.27485 3.28201 3.28434 3.28321 3.27946 3.2725 2.83301 2.72058 2.5883 2.43152 2.24403 2.0175 1.74038 1.39627 0.961058 0.397948 -0.352127 -1.69776 -3.28459 -5.78029 -10.2148 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 0.0 0.0 0.0 0.0 3.5050016844931203e-19 3.747907681972608e-19 3.9623590226666887e-19 4.152409213425984e-19 4.3211664768948484e-19 4.470986012705857e-19 4.603822476336384e-19 4.721229979108608e-19 4.8244902623191685e-19 4.914740871368832e-19 4.992895046931456e-19 5.0597698990836485e-19 5.116054363772352e-19 5.162389311645888e-19 5.199319482755328e-19 5.22734155185312e-19 5.24688810662688e-19 5.258359691231808e-19 5.262092762758272e-19 5.260282303176768e-19 5.254274140848768e-19 5.243122991568e-19 4.538982388492608e-19 4.358849671016064e-19 4.1469137476166397e-19 3.8957244970076163e-19 3.5953324023738243e-19 3.2323913324640004e-19 2.788396147307904e-19 2.237071150324416e-19 1.5397846588328065e-19 6.375829818941185e-20 -5.641696469524417e-20 -2.720111379729408e-19 -5.262493306913473e-19 -9.261045499444032e-19 -1.6365913746147842e-18 ] } }