{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.167127 3.726278 2.425808 ] [ 5.703742 2.419847 2.282123 ] [ 3.651151 2.438119 0.811047 ] [ 3.941822 0.8653656 2.619853 ] [ 4.06698 3.157982 3.365965 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.167127e-10 3.726278000000001e-10 2.425808e-10 ] [ 5.703742000000001e-10 2.419847e-10 2.282123e-10 ] [ 3.651151e-10 2.438119e-10 8.11047e-11 ] [ 3.941822e-10 8.653656e-11 2.619853e-10 ] [ 4.06698e-10 3.157982e-10 3.365965e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -5.3214324 1.9481908 -4.0447998 ] [ 13.8277342 -0.4871519 -7.8143663 ] [ -2.5076 -0.5137607 -10.7326178 ] [ -3.6160911 -9.1847606 1.8902251 ] [ -2.3826106 8.2374824 20.7015588 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.525874580447635e-09 3.121345752617649e-09 -6.480483675376515e-09 ] [ 2.215447245387659e-08 -7.805033849582996e-10 -1.25199949922274e-08 ] [ -4.01761809431808e-09 -8.231353822258425e-10 -1.719554931914193e-08 ] [ -5.793616619102954e-09 -1.471560870096498e-08 3.028474463269342e-09 ] [ -3.81736299979026e-09 1.319790171553147e-08 3.316755352347651e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -5.2056343 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.340345571894574e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.399295 3.8923463 2.1724281 ] [ 5.8322558 3.0840129 1.926644 ] [ 3.7111145 2.162404 0.7576555 ] [ 3.4869427 0.5881964 2.8038099 ] [ 4.1012139 2.880632 3.8442585 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.399295e-10 3.8923463e-10 2.1724281e-10 ] [ 5.8322558e-10 3.0840129e-10 1.926644e-10 ] [ 3.7111145e-10 2.162404e-10 7.576555e-11 ] [ 3.4869427e-10 5.881964e-11 2.8038099e-10 ] [ 4.101213900000001e-10 2.880632e-10 3.8442585e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.3e-06 -5.2e-06 -1.06e-05 ] [ 3.9e-06 2.5e-06 -2.3e-06 ] [ -3.6e-06 1.63e-05 2.19e-05 ] [ -1.3e-06 -2.9e-06 7.2e-06 ] [ -1.3e-06 -1.07e-05 -1.62e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.68500622784e-15 -8.33131842816e-15 -1.698307218048e-14 ] [ 6.24848882112e-15 4.005441552e-15 -3.68500622784e-15 ] [ -5.76783583488e-15 2.611547891904e-14 3.508766799552e-14 ] [ -2.08282960704e-15 -4.646312200320001e-15 1.153567166976e-14 ] [ -2.08282960704e-15 -1.714328984256e-14 -2.595526125696e-14 ] ] } "relaxed-potential-energy" { "source-value" -13.588965 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.177192202386947e-18 } }