{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0704828 0.1905019 0.722746 ] [ 1.472209 1.144202 0.237838 ] [ 0.7786382 0.019786 2.199824 ] [ 0.3387255 2.988132 0.8463052 ] [ 1.126217 1.885786 2.703629 ] [ 2.677409 0.1439485 2.263239 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.04828e-12 1.905019e-11 7.22746e-11 ] [ 1.472209e-10 1.144202e-10 2.37838e-11 ] [ 7.786382e-11 1.9786e-12 2.199824e-10 ] [ 3.387255e-11 2.988132e-10 8.463052e-11 ] [ 1.126217e-10 1.885786e-10 2.703629e-10 ] [ 2.677409e-10 1.439485e-11 2.263239e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -26.1406279 -8.763265 -19.7321282 ] [ 21.9234984 23.9802397 -30.6808742 ] [ -8.5882019 -25.380842 45.8166231 ] [ 1.4668255 -0.0326922 2.466778 ] [ -5.5823144 16.7523873 2.4362576 ] [ 16.9208203 -6.5558278 -0.3066562 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.18819028744122e-08 -1.404029830487491e-08 -3.161435448066839e-08 ] [ 3.512531658262621e-08 3.842057940852001e-08 -4.91561793489459e-08 ] [ -1.375981629889014e-08 -4.066459166861871e-08 7.340632237482523e-08 ] [ 2.35011352289327e-09 -5.237867852251776e-11 3.952214040303782e-09 ] [ -8.943853621635179e-09 2.684028327464683e-08 3.903314968966317e-09 ] [ 2.711014268941804e-08 -1.05035940311507e-08 -4.91317394263369e-10 ] ] } "unrelaxed-potential-energy" { "source-value" 4.773877 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 7.648594119974842e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.6097971 -0.0804586 0.3480298 ] [ 0.1105204 1.8065949 -0.6881627 ] [ 1.4648292 0.1358568 2.3794293 ] [ 0.3921381 3.373115 0.8436124 ] [ 0.9437407 2.269495 2.6764141 ] [ 2.942656 -1.1322466 3.4142583 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.097971e-11 -8.04586e-12 3.480298e-11 ] [ 1.105204e-11 1.8065949e-10 -6.881627e-11 ] [ 1.4648292e-10 1.358568e-11 2.3794293e-10 ] [ 3.921381e-11 3.373115e-10 8.436124000000001e-11 ] [ 9.437407e-11 2.269495e-10 2.6764141e-10 ] [ 2.942656e-10 -1.1322466e-10 3.4142583e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.0030646 0.1574682 -0.1818611 ] [ -0.0283205 -0.2489938 -0.0554343 ] [ 0.2727113 -0.1369423 0.2398878 ] [ -0.0750706 0.0879225 0.2097421 ] [ 0.1206806 -0.0078621 -0.1278274 ] [ -0.2869363 0.1484074 -0.0845072 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.91003047210368e-12 2.522918685594586e-10 -2.913736026529709e-10 ] [ -4.53744429893664e-11 -3.98932045084151e-10 -8.881553945041343e-11 ] [ 4.36931669087975e-10 -2.194057514585798e-10 3.843426247751463e-10 ] [ -1.202763602294285e-10 1.40867373942288e-10 3.360438890174957e-10 ] [ 1.933516359041165e-10 -1.259647281039168e-11 -2.048020717776499e-10 ] [ -4.59722631518855e-10 2.377748666337139e-10 -1.353954601292698e-10 ] ] } "relaxed-potential-energy" { "source-value" -13.683101 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.19227445222451e-18 } }