{ "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" [ 6.21987 5.803116 5.544828 5.357168 5.209691 5.088185 4.98486 4.894976 4.815435 4.744101 4.679437 4.620302 4.565824 4.515324 4.468259 4.424192 4.382764 4.343676 4.306679 4.271559 4.238135 4.206252 4.175773 4.14658 4.126706 4.105789 4.083715 4.060346 4.035523 4.009051 3.980697 3.950171 3.917114 3.881067 3.841436 3.797427 3.747952 3.691459 3.625623 3.546726 3.448274 3.31726 ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ 6.21987e-10 5.803116e-10 5.544828e-10 5.357168e-10 5.209691e-10 5.088185e-10 4.984860000000001e-10 4.894976e-10 4.815435000000001e-10 4.744100999999999e-10 4.679437e-10 4.6203019999999997e-10 4.5658240000000003e-10 4.515324e-10 4.468259e-10 4.4241919999999996e-10 4.382764e-10 4.3436760000000003e-10 4.3066790000000003e-10 4.271559e-10 4.238135e-10 4.2062520000000005e-10 4.1757730000000004e-10 4.1465800000000003e-10 4.1267060000000007e-10 4.105789e-10 4.0837149999999997e-10 4.060346e-10 4.035523000000001e-10 4.0090510000000006e-10 3.980697e-10 3.950171e-10 3.917114e-10 3.881067e-10 3.841436e-10 3.797427e-10 3.747952e-10 3.691459e-10 3.625623e-10 3.5467260000000003e-10 3.4482740000000004e-10 3.31726e-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 3.53703e-09 0.0005117 0.0183414 0.104202 0.291734 0.576175 0.932195 1.33 1.74299 2.15014 2.53609 2.89027 3.20592 3.47915 3.70813 3.89254 4.03305 4.13104 4.1883 4.2069 4.19796 4.16869 4.11481 4.03103 3.91081 3.74588 3.52577 3.23694 2.86168 2.37634 1.74864 0.933311 -0.135224 -1.55591 -3.48621 -6.19413 -10.2201 -17.1986 ] "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" [ 0.0 0.0 0.0 0.0 5.666946773068225e-28 8.198337768633601e-23 2.9386162272741122e-21 1.6695000824060162e-20 4.674093942924672e-20 9.2313411448944e-20 1.493541035026656e-19 2.1308949056640002e-19 2.7925778282881924e-19 3.444904039446912e-19 4.0632641062446726e-19 4.630723021799617e-19 5.136450072155136e-19 5.574212790256321e-19 5.941079192887104e-19 6.236536583528832e-19 6.461658420517441e-19 6.618655707589631e-19 6.71039634089664e-19 6.740196826043521e-19 6.725873367053569e-19 6.678977657362752e-19 6.592652381034049e-19 6.458422023743425e-19 6.265808350390849e-19 6.001561360322305e-19 5.648906264318016e-19 5.186149590932352e-19 4.584916792210944e-19 3.807316391071872e-19 2.801630126195712e-19 1.4953290641354689e-19 -2.1665273137105924e-20 -2.492842626068928e-19 -5.585524157199168e-19 -9.924090272195905e-19 -1.6374405282238082e-18 -2.755519483049088e-18 ] } }