{ "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" [ [ 1.239329 2.983674 3.512225 ] [ 2.999663 5.449943 1.062375 ] [ 1.178907 3.936124 1.554887 ] [ 2.122325 5.087093 3.38156 ] [ 3.136296 3.082629 1.288456 ] [ 5.117946 4.70791 1.219676 ] [ 3.839933 3.58316 3.463374 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.239329e-10 2.983674e-10 3.512225e-10 ] [ 2.999663e-10 5.449943e-10 1.062375e-10 ] [ 1.178907e-10 3.936124e-10 1.554887e-10 ] [ 2.122325e-10 5.087093000000001e-10 3.38156e-10 ] [ 3.136296e-10 3.082629e-10 1.288456e-10 ] [ 5.117946e-10 4.70791e-10 1.219676e-10 ] [ 3.839933e-10 3.58316e-10 3.463374e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -9.8449567 -29.5551087 42.3632881 ] [ -89.7959618 106.6674871 -15.9638921 ] [ -47.7509045 -5.8277034 -71.2785943 ] [ 11.924436 48.0794475 40.3481679 ] [ -3.5771094 -99.4945592 -62.3058341 ] [ 46.9193775 -75.31313 109.8002047 ] [ 92.1251189 55.4435667 -42.96334 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.577335945752832e-08 -4.735250418434268e-08 6.787346977403485e-08 ] [ -1.438689906382099e-07 1.709001540311056e-07 -2.557697469959382e-08 ] [ -7.650538281195352e-08 -9.33701014043667e-09 -1.142008973509481e-07 ] [ 1.910505257542587e-08 7.7031766725481e-08 6.464489130149304e-08 ] [ -5.731161050723916e-09 -1.594078566470416e-07 -9.98249507344634e-08 ] [ 7.517312969298956e-08 -1.206649361252711e-07 1.759193209293943e-07 ] [ 1.476007116900002e-07 8.88303863405054e-08 -6.883485889948147e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 48.477045 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 7.766878814446954e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.1047187 3.2530336 3.572685 ] [ 2.4729322 5.9873422 1.176577 ] [ 1.1671688 3.6510689 0.8802248 ] [ 2.4874273 5.7269253 3.8864954 ] [ 3.4958479 2.2447329 0.9858042 ] [ 4.8785372 4.718638 1.2996147 ] [ 4.0277668 3.248792 3.6811518 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.1047187e-10 3.2530336e-10 3.572685e-10 ] [ 2.4729322e-10 5.987342199999999e-10 1.176577e-10 ] [ 1.1671688e-10 3.6510689e-10 8.802248000000001e-11 ] [ 2.4874273e-10 5.7269253e-10 3.8864954e-10 ] [ 3.4958479e-10 2.2447329e-10 9.858042000000001e-11 ] [ 4.878537200000001e-10 4.718638e-10 1.2996147e-10 ] [ 4.0277668e-10 3.248792e-10 3.6811518e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.9e-06 -2.37e-05 1.51e-05 ] [ 1.04e-05 2.6e-06 1.5e-06 ] [ -1.09e-05 1.03e-05 -1.8e-06 ] [ -8.7e-06 1.46e-05 -1.1e-06 ] [ 8.9e-06 -1.8e-06 5.6e-06 ] [ 1.23e-05 -2.9e-06 -8.9e-06 ] [ -9.1e-06 9e-07 -1.05e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.646312200320001e-15 -3.797158591296e-14 2.419286697408e-14 ] [ 1.666263685632e-14 4.16565921408e-15 2.4032649312e-15 ] [ -1.746372516672e-14 1.650241919424e-14 -2.88391791744e-15 ] [ -1.393893660096e-14 2.339177866368e-14 -1.76239428288e-15 ] [ 1.425937192512e-14 -2.88391791744e-15 8.972189076479999e-15 ] [ 1.970677243584e-14 -4.646312200320001e-15 -1.425937192512e-14 ] [ -1.457980724928e-14 1.44195895872e-15 -1.68228545184e-14 ] ] } "relaxed-potential-energy" { "source-value" -19.619169 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.143337389132412e-18 } }