{ "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" [ [ 1.743709 2.680969 1.034902 ] [ 2.749822 1.528948 3.390438 ] [ 1.938557 3.742026 2.98984 ] [ 3.932402 1.721019 1.334077 ] [ 5.171354 1.721023 3.429234 ] [ 4.220666 3.803748 1.650722 ] [ 4.237092 3.532846 4.042988 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.743709e-10 2.680969e-10 1.034902e-10 ] [ 2.749822e-10 1.528948e-10 3.390438e-10 ] [ 1.938557e-10 3.742026e-10 2.98984e-10 ] [ 3.932402e-10 1.721019e-10 1.334077e-10 ] [ 5.171354e-10 1.721023e-10 3.429234e-10 ] [ 4.220666e-10 3.803748e-10 1.650722e-10 ] [ 4.237092e-10 3.532846e-10 4.042988e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.3491035 -0.9200104 -0.0435778 ] [ 0.5608758 1.0820308 -0.3223864 ] [ 1.9263562 0.465127 1.282008 ] [ -0.6645206 -4.1136496 -0.0447222 ] [ -0.0408213 -2.7395836 -2.7958405 ] [ -1.1051316 3.2271849 2.1346465 ] [ -3.0258621 2.9989009 -0.2101276 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.763678738547619e-09 -1.474019165916994e-09 -6.98193329211252e-11 ] [ 8.986221013360573e-10 1.733604465028327e-09 -5.165199571993776e-10 ] [ 3.08636289240103e-09 7.45215611242518e-10 2.054003262201072e-09 ] [ -1.06467937813166e-09 -6.590793269583445e-09 -7.165286386107479e-11 ] [ -6.540293302950418e-11 -4.389296830809602e-09 -4.479430321490877e-09 ] [ -1.770616027015034e-09 5.170520240377626e-09 3.420080744149881e-09 ] [ -4.847965554326171e-09 4.80476894966157e-09 -3.366615308784984e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -28.774999 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.610263104117336e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.9958949 2.5708121 1.2170474 ] [ 2.709534 1.6136803 3.3289232 ] [ 2.0171193 3.9267661 3.0932097 ] [ 4.1295158 1.6518735 1.3193089 ] [ 5.0978108 1.450022 3.42019 ] [ 3.8849918 3.9990345 1.5916456 ] [ 4.1587353 3.5183905 3.9018762 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.9958949e-10 2.5708121e-10 1.2170474e-10 ] [ 2.709534e-10 1.6136803e-10 3.3289232e-10 ] [ 2.0171193e-10 3.9267661e-10 3.0932097e-10 ] [ 4.1295158e-10 1.6518735e-10 1.3193089e-10 ] [ 5.0978108e-10 1.450022e-10 3.42019e-10 ] [ 3.8849918e-10 3.9990345e-10 1.5916456e-10 ] [ 4.1587353e-10 3.518390500000001e-10 3.9018762e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -7.2e-06 -1.34e-05 3.24e-05 ] [ -3.49e-05 -1.28e-05 -1.5e-06 ] [ -7.4e-06 1.7e-05 -4.04e-05 ] [ -1.49e-05 -8.1e-06 -3.57e-05 ] [ 5.13e-05 -8.2e-06 -7.1e-06 ] [ 2.27e-05 2.9e-06 2.28e-05 ] [ -9.6e-06 2.26e-05 2.95e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.15356717648e-14 -2.14691668956e-14 5.19105229416e-14 ] [ -5.59159645266e-14 -2.05078609152e-14 -2.403264951e-15 ] [ -1.18561070916e-14 2.723700277799999e-14 -6.472793601359999e-14 ] [ -2.38724318466e-14 -1.29776307354e-14 -5.719770583379999e-14 ] [ 8.21916613242e-14 -1.31378483988e-14 -1.13754541014e-14 ] [ 3.636940959179999e-14 4.6463122386e-15 3.65296272552e-14 ] [ -1.53808956864e-14 3.62091919284e-14 4.726421070299999e-14 ] ] } "relaxed-potential-energy" { "source-value" -30.380528 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.867497209018275e-18 } }