{ "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" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 1.662864 2.785445 0.9951273 ] [ 1.604551 1.254517 2.754062 ] [ 1.304297 2.979259 4.142484 ] [ 2.049326 4.702389 2.752286 ] [ 3.428978 2.585226 4.349041 ] [ 3.762165 3.432195 2.245626 ] [ 3.938407 4.831482 3.738967 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.662864e-10 2.785445e-10 9.951273000000001e-11 ] [ 1.604551e-10 1.254517e-10 2.754062e-10 ] [ 1.304297e-10 2.979259e-10 4.142484e-10 ] [ 2.049326e-10 4.702389e-10 2.752286e-10 ] [ 3.428978e-10 2.585226e-10 4.349041e-10 ] [ 3.762165e-10 3.432195e-10 2.245626e-10 ] [ 3.938407e-10 4.831482000000001e-10 3.738967e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.5581407 2.0241999 -1.1976571 ] [ 4.482233 -0.7137403 3.1029271 ] [ -6.3638301 0.6550192 4.5863256 ] [ -15.2198869 7.2777489 -5.9452946 ] [ -2.8242648 -17.9206979 6.4366522 ] [ 9.1859397 -9.2836475 -15.7204792 ] [ 11.2979498 17.9611177 8.737526 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.942399806569467e-10 3.243125755605698e-09 -1.918858205355128e-09 ] [ 7.181328921578246e-09 -1.143538021982778e-09 4.971437255666744e-09 ] [ -1.019597980496333e-08 1.049456448415119e-09 7.348103651696533e-09 ] [ -2.438494696240019e-08 1.166023913963292e-08 -9.525412011888488e-09 ] [ -4.524971033508387e-09 -2.871212320379966e-08 1.031265367106089e-08 ] [ 1.471749782741857e-08 -1.487404298024837e-08 -2.518698424201269e-08 ] [ 1.810131103253204e-08 2.877688286237707e-08 1.399905988083214e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -13.47458 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.158865705109926e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.8337361 2.6644859 1.0030205 ] [ 1.4885638 1.3048897 3.0044078 ] [ 1.4391393 3.3822781 4.435238 ] [ 1.7908899 4.7674427 2.396212 ] [ 3.6345194 2.1827372 3.999138 ] [ 3.9862346 3.5678532 1.9600718 ] [ 3.577505 4.7008261 4.1795052 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.8337361e-10 2.6644859e-10 1.0030205e-10 ] [ 1.4885638e-10 1.3048897e-10 3.0044078e-10 ] [ 1.4391393e-10 3.3822781e-10 4.435238e-10 ] [ 1.7908899e-10 4.7674427e-10 2.396212e-10 ] [ 3.6345194e-10 2.1827372e-10 3.999138e-10 ] [ 3.9862346e-10 3.5678532e-10 1.9600718e-10 ] [ 3.577505e-10 4.700826099999999e-10 4.1795052e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4e-06 -2.52e-05 -3.35e-05 ] [ -3.9e-05 -4.22e-05 4.5e-05 ] [ -1.4e-06 -3.01e-05 3.63e-05 ] [ -2.8e-06 7.24e-05 -3.11e-05 ] [ -7.1e-06 -6.57e-05 2e-05 ] [ 6.39e-05 5.92e-05 -5.17e-05 ] [ -9.8e-06 3.16e-05 1.49e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.4087064832e-15 -4.037485084416e-14 -5.36729167968e-14 ] [ -6.248488821120001e-14 -6.761185339776e-14 7.209794793600001e-14 ] [ -2.24304726912e-15 -4.822551628608e-14 5.815901133504e-14 ] [ -4.48609453824e-15 1.1599758734592e-13 -4.982769290688e-14 ] [ -1.137545400768e-14 -1.0526300398656e-13 3.2043532416e-14 ] [ 1.0237908606912e-13 9.484885595136001e-14 -8.283253129536002e-14 ] [ -1.570133088384e-14 5.062878121728e-14 2.387243164992e-14 ] ] } "relaxed-potential-energy" { "source-value" -26.566249 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.256382305015138e-18 } }