{ "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" [ [ 2.024908 1.18877 2.927879 ] [ 1.938594 2.418534 4.826435 ] [ 2.412467 3.694527 2.059811 ] [ 3.090256 4.25078 4.272664 ] [ 3.913894 1.726388 1.808826 ] [ 4.03064 2.069757 3.989682 ] [ 4.599294 3.851686 2.39416 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.024908e-10 1.18877e-10 2.927879e-10 ] [ 1.938594e-10 2.418534e-10 4.826435e-10 ] [ 2.412467e-10 3.694527e-10 2.059811e-10 ] [ 3.090256e-10 4.25078e-10 4.272664e-10 ] [ 3.913894e-10 1.726388e-10 1.808826e-10 ] [ 4.03064e-10 2.069757e-10 3.989682e-10 ] [ 4.599294e-10 3.851686e-10 2.39416e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.8562882 -1.1751226 -0.9769538 ] [ -2.8731256 -0.516388 2.1659107 ] [ -3.8748764 0.9896568 -1.8018773 ] [ -0.2867985 2.8634903 0.7936566 ] [ 1.1224554 -2.193209 -4.1194787 ] [ 5.1841779 -2.0710836 4.3257652 ] [ 3.5844554 2.102656 -0.3870227 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.576278176306915e-09 -1.88275395629371e-09 -1.565252537961719e-09 ] [ -4.603254664941972e-09 -8.273447808616703e-10 3.470171486280563e-09 ] [ -6.20823637656967e-09 1.585604987575742e-09 -2.886925683610228e-09 ] [ -4.595018515805089e-10 4.587817212547578e-09 1.271578049463617e-09 ] [ 1.798371799770712e-09 -3.513908184328147e-09 -6.600132463023577e-09 ] [ 8.30596862944804e-09 -3.318241723642299e-09 6.930639870510236e-09 ] [ 5.742930640180313e-09 3.368826284784845e-09 -6.200787216588921e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -18.887984 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.026188637884447e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.8018209 1.7029631 2.55781 ] [ 2.4243569 2.2758273 4.7758442 ] [ 2.0305164 3.9196791 1.9178211 ] [ 2.6547213 4.4940164 4.1415531 ] [ 4.0214179 1.2750226 2.0420791 ] [ 4.645552 1.8493018 4.2658451 ] [ 4.4316675 3.6836316 2.5785044 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.8018209e-10 1.7029631e-10 2.55781e-10 ] [ 2.4243569e-10 2.2758273e-10 4.7758442e-10 ] [ 2.0305164e-10 3.9196791e-10 1.9178211e-10 ] [ 2.6547213e-10 4.4940164e-10 4.1415531e-10 ] [ 4.0214179e-10 1.2750226e-10 2.0420791e-10 ] [ 4.645552000000001e-10 1.8493018e-10 4.2658451e-10 ] [ 4.4316675e-10 3.6836316e-10 2.5785044e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -5.34e-05 -1.56e-05 -3.89e-05 ] [ 2.44e-05 3.52e-05 2.11e-05 ] [ 1.8e-05 2.26e-05 9e-06 ] [ -2.83e-05 -3.56e-05 1.44e-05 ] [ 1.2e-05 -3.83e-05 -2.8e-06 ] [ 1.67e-05 -8e-06 2.94e-05 ] [ 1.06e-05 3.97e-05 -3.21e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.555623155072e-14 -2.499395528448e-14 -6.232467054911999e-14 ] [ 3.909310954752e-14 5.639661705216e-14 3.380592669888e-14 ] [ 2.88391791744e-14 3.620919163008e-14 1.44195895872e-14 ] [ -4.534159836864e-14 -5.703748770048e-14 2.307134333952e-14 ] [ 1.92261194496e-14 -6.136336457664001e-14 -4.48609453824e-15 ] [ 2.675634956736e-14 -1.28174129664e-14 4.710399265152e-14 ] [ 1.698307218048e-14 6.360641184576e-14 -5.142986952768e-14 ] ] } "relaxed-potential-energy" { "source-value" -22.303661 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.573440421244875e-18 } }