{ "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" [ [ 2.272226 1.517825 2.823083 ] [ 2.079314 3.025232 4.309487 ] [ 1.624731 3.89644 2.167347 ] [ 4.204366 1.580563 1.938725 ] [ 4.130904 2.338344 4.256427 ] [ 3.588528 3.628489 1.149971 ] [ 3.881136 4.134812 3.114475 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.272226e-10 1.517825e-10 2.823083e-10 ] [ 2.079314e-10 3.025232e-10 4.309487e-10 ] [ 1.624731e-10 3.89644e-10 2.167347e-10 ] [ 4.204366000000001e-10 1.580563e-10 1.938725e-10 ] [ 4.130904e-10 2.338344e-10 4.256427000000001e-10 ] [ 3.588528e-10 3.628489e-10 1.149971e-10 ] [ 3.881136e-10 4.134812e-10 3.114475e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.7570843 -4.5148414 -1.8791873 ] [ -4.7358893 4.4226407 5.2076764 ] [ -2.9263268 0.1291397 -0.2458184 ] [ 4.9267473 -4.7121352 -3.6513055 ] [ 4.8609125 -5.3662605 2.4060118 ] [ 1.1478166 -1.2422912 -8.154994 ] [ 1.4838241 11.283748 6.317617 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.621689248634733e-09 -7.233573337699941e-09 -3.010789958164276e-09 ] [ -7.587731115156879e-09 7.085851531738546e-09 8.34361737677191e-09 ] [ -4.688492383780477e-09 2.069046081571258e-10 -3.938444934424627e-10 ] [ 7.893519340649523e-09 -7.549672851488732e-09 -5.850036307498455e-09 ] [ 7.788040363254481e-09 -8.597697114222518e-09 3.854855855328925e-09 ] [ 1.839004921486146e-09 -1.990369916865577e-09 -1.306574072956428e-08 ] [ 2.377348282399601e-09 1.807855724059876e-08 1.012193825656863e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -17.540204 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.810250477286264e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.0826203 1.3690257 2.8952139 ] [ 2.0176846 3.2409789 4.5129317 ] [ 1.6464636 3.6953753 2.1085259 ] [ 4.2256665 1.4850958 1.7823003 ] [ 4.2129288 2.1755565 4.0991513 ] [ 3.8190718 3.6537669 1.048931 ] [ 3.7767693 4.5019059 3.312461 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0826203e-10 1.3690257e-10 2.8952139e-10 ] [ 2.0176846e-10 3.2409789e-10 4.512931700000001e-10 ] [ 1.6464636e-10 3.6953753e-10 2.1085259e-10 ] [ 4.2256665e-10 1.4850958e-10 1.7823003e-10 ] [ 4.212928800000001e-10 2.1755565e-10 4.0991513e-10 ] [ 3.8190718e-10 3.6537669e-10 1.048931e-10 ] [ 3.776769300000001e-10 4.5019059e-10 3.312461e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.3e-05 -9e-06 3.9e-06 ] [ -8.3e-06 1.29e-05 2.6e-06 ] [ 2.6e-06 8.3e-06 2.7e-06 ] [ 6.6e-06 -1.7e-05 9e-07 ] [ -5e-06 -9.4e-06 -9.6e-06 ] [ -5.3e-06 1.1e-05 -1.4e-06 ] [ -3.7e-06 3.2e-06 9e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.08282960704e-14 -1.44195895872e-14 6.24848882112e-15 ] [ -1.329806595264e-14 2.066807840832e-14 4.16565921408e-15 ] [ 4.16565921408e-15 1.329806595264e-14 4.32587687616e-15 ] [ 1.057436569728e-14 -2.72370025536e-14 1.44195895872e-15 ] [ -8.010883104e-15 -1.506046023552e-14 -1.538089555968e-14 ] [ -8.491536090240001e-15 1.76239428288e-14 -2.24304726912e-15 ] [ -5.928053496960001e-15 5.126965186560001e-15 1.44195895872e-15 ] ] } "relaxed-potential-energy" { "source-value" -22.152427 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.549210063337869e-18 } }