{ "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" [ [ 2.019678 3.528357 2.55152 ] [ 4.681874 1.030316 1.978031 ] [ 3.876194 2.698932 0.9098523 ] [ 3.736168 1.84025 3.911189 ] [ 5.498325 3.105138 2.775129 ] [ 3.884183 4.867643 2.227305 ] [ 3.327521 4.019973 4.190113 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.019678e-10 3.528357e-10 2.55152e-10 ] [ 4.681874e-10 1.030316e-10 1.978031e-10 ] [ 3.876194e-10 2.698932e-10 9.098523e-11 ] [ 3.736168e-10 1.84025e-10 3.911189e-10 ] [ 5.498325e-10 3.105138e-10 2.775129000000001e-10 ] [ 3.884183e-10 4.867643e-10 2.227305e-10 ] [ 3.327521e-10 4.019973e-10 4.190113e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -41.4088652 -20.9326813 -29.0650016 ] [ 17.5962301 -37.5534224 10.5188799 ] [ -24.864481 29.7246415 -29.9550458 ] [ -4.321443 -14.8794475 12.3438126 ] [ 15.733891 7.3878851 7.2628781 ] [ 23.2927634 22.6086759 -23.2113509 ] [ 13.9719047 13.6443487 52.1058276 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.634431571729873e-08 -3.353785258951735e-08 -4.65672660470346e-08 ] [ 2.819226848043725e-08 -6.016721540030703e-08 1.685310345278304e-08 ] [ -3.983729014652581e-08 4.762412567296144e-08 -4.799327405575323e-08 ] [ -6.923714942719814e-09 -2.383950291492101e-08 1.977696795925646e-08 ] [ 2.520847231441553e-08 1.183669678437667e-08 1.163641349154032e-08 ] [ 3.731912095330592e-08 3.62230919542244e-08 -3.718868374916504e-08 ] [ 2.238545905838564e-08 2.186065649318287e-08 8.348273878815537e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -1.1378792 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.823083451534607e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.7116283 3.7820138 2.1231792 ] [ 4.5846969 0.7630718 2.0061401 ] [ 3.7341154 2.8646411 0.7365976 ] [ 4.2181225 1.4383046 4.4906769 ] [ 5.5434094 3.1781174 2.8522952 ] [ 4.0184386 5.2402231 2.0669829 ] [ 3.213532 3.8242372 4.2672675 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.7116283e-10 3.7820138e-10 2.1231792e-10 ] [ 4.5846969e-10 7.630717999999999e-11 2.0061401e-10 ] [ 3.7341154e-10 2.8646411e-10 7.365976e-11 ] [ 4.2181225e-10 1.4383046e-10 4.490676900000001e-10 ] [ 5.5434094e-10 3.1781174e-10 2.8522952e-10 ] [ 4.0184386e-10 5.2402231e-10 2.0669829e-10 ] [ 3.213532e-10 3.8242372e-10 4.2672675e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 7.25e-05 -3.97e-05 -7.7e-06 ] [ -4.92e-05 7.17e-05 0.0001114 ] [ -3.16e-05 4.44e-05 1.69e-05 ] [ 6.11e-05 -4.36e-05 -7.82e-05 ] [ -4.3e-05 -2.11e-05 1.06e-05 ] [ 1.3e-05 -1.18e-05 -7.4e-06 ] [ -2.27e-05 1e-07 -4.57e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.16157805008e-13 -6.360641184576e-14 -1.233675998016e-14 ] [ -7.882708974336e-14 1.1487606371136e-13 1.7848247555712e-13 ] [ -5.062878121728e-14 7.113664196352e-14 2.707678489152e-14 ] [ 9.789299153088e-14 -6.985490066688e-14 -1.2529021174656e-13 ] [ -6.889359469439999e-14 -3.380592669888e-14 1.698307218048e-14 ] [ 2.08282960704e-14 -1.890568412544e-14 -1.185610699392e-14 ] [ -3.636940929216e-14 1.6021766208e-16 -7.321947157056e-14 ] ] } "relaxed-potential-energy" { "source-value" -24.67255 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.952978278551904e-18 } }