{ "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" [ [ 2.512586 2.352376 3.000619 ] [ 5.747731 2.138199 1.702882 ] [ 4.441387 1.564453 3.266826 ] [ 5.259627 4.180433 2.034508 ] [ 3.39507 3.451757 1.390248 ] [ 4.402652 3.245897 4.59308 ] [ 3.137856 4.41534 3.36482 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.512586e-10 2.352376e-10 3.000619e-10 ] [ 5.747731e-10 2.138199e-10 1.702882e-10 ] [ 4.441387e-10 1.564453e-10 3.266826e-10 ] [ 5.259627e-10 4.180433e-10 2.034508e-10 ] [ 3.39507e-10 3.451757e-10 1.390248e-10 ] [ 4.402652e-10 3.245897e-10 4.59308e-10 ] [ 3.137856000000001e-10 4.41534e-10 3.36482e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.6125413 -2.4163358 1.5346648 ] [ 1.6085514 -1.573311 -2.2294414 ] [ 1.3208164 -3.3611273 0.8210443 ] [ 1.5257339 3.5172798 2.3102262 ] [ -0.8611978 -0.9337661 -4.9739321 ] [ 1.7846023 0.1782749 2.2338611 ] [ -0.7659648 4.5889855 0.3035771 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.390105833334439e-09 -3.871396726762065e-09 2.458804063324708e-09 ] [ 2.577183446435109e-09 -2.520722101447469e-09 -3.571958888523621e-09 ] [ 2.116181156449221e-09 -5.385119579592628e-09 1.315457982101101e-09 ] [ 2.444495184142005e-09 5.6353034643721e-09 3.701390406399625e-09 ] [ -1.379790981044394e-09 -1.496058214715595e-09 -7.969117724066647e-09 ] [ 2.859248082485908e-09 2.85627876855458e-10 3.579040028534571e-09 ] [ -1.227210894915748e-09 7.352365281290198e-09 4.863841322302636e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -6.662882085572459 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.067511390465134e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.4217524 2.4307474 3.3685961 ] [ 5.657002 2.2945759 1.1460969 ] [ 4.6041248 1.5937516 3.1052078 ] [ 5.3824093 3.9918212 2.7214589 ] [ 3.4567669 3.0406945 1.3463683 ] [ 4.2245002 3.3211385 4.6559117 ] [ 3.1503534 4.6757259 3.0093434 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4217524e-10 2.4307474e-10 3.3685961e-10 ] [ 5.657002000000001e-10 2.2945759e-10 1.1460969e-10 ] [ 4.604124800000001e-10 1.5937516e-10 3.1052078e-10 ] [ 5.3824093e-10 3.9918212e-10 2.7214589e-10 ] [ 3.4567669e-10 3.0406945e-10 1.3463683e-10 ] [ 4.2245002e-10 3.3211385e-10 4.6559117e-10 ] [ 3.150353400000001e-10 4.6757259e-10 3.0093434e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.92e-05 1.02e-05 -1.04e-05 ] [ -4.74e-05 5.8e-06 1.61e-05 ] [ 2.54e-05 2.7e-06 2.1e-06 ] [ 1.2e-06 -1.46e-05 2.93e-05 ] [ -1.54e-05 1.74e-05 -5.5e-06 ] [ -2.75e-05 2.24e-05 -2.77e-05 ] [ 2.44e-05 -4.4e-05 -3.8e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.280532353535999e-14 1.634220153216e-14 -1.666263685632e-14 ] [ -7.594317182591999e-14 9.292624400640001e-15 2.579504359488e-14 ] [ 4.069528616832e-14 4.32587687616e-15 3.36457090368e-15 ] [ 1.92261194496e-15 -2.339177866368e-14 4.694377498944e-14 ] [ -2.467351996032e-14 2.787787320192e-14 -8.8119714144e-15 ] [ -4.4059857072e-14 3.588875630592e-14 -4.438029239616e-14 ] [ 3.909310954752e-14 -7.04957713152e-14 -6.08827115904e-15 ] ] } "relaxed-potential-energy" { "source-value" -9.660528085572459 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.547787224328598e-18 } }