{ "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" [ [ 2.176849 1.681974 3.211274 ] [ 2.864727 5.809081 2.248654 ] [ 2.905691 3.612446 1.71083 ] [ 4.50356 2.090932 1.710731 ] [ 5.648677 2.904188 3.876429 ] [ 4.83518 4.522991 2.188517 ] [ 3.438619 4.083879 4.381538 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.176849e-10 1.681974e-10 3.211274e-10 ] [ 2.864727e-10 5.809081e-10 2.248654e-10 ] [ 2.905691e-10 3.612446e-10 1.71083e-10 ] [ 4.503560000000001e-10 2.090932e-10 1.710731e-10 ] [ 5.648677e-10 2.904188e-10 3.876429e-10 ] [ 4.835180000000001e-10 4.522991000000001e-10 2.188517e-10 ] [ 3.438619e-10 4.083879e-10 4.381538e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.8141801 1.4402005 -1.3736973 ] [ -1.5636368 3.6227475 2.036799 ] [ -9.1658485 -2.9223789 -2.4147645 ] [ 1.1522787 -4.6883553 1.4410786 ] [ 0.3198768 -0.6696653 0.5482171 ] [ 7.2924418 3.0103837 0.4954487 ] [ -0.849292 0.2070678 -0.7330816 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.508813562940606e-09 2.307455570364471e-09 -2.200905698116084e-09 ] [ -2.505222324382526e-09 5.804281347561648e-09 3.263311739068819e-09 ] [ -1.468530817649475e-08 -4.68216715069922e-09 -3.868879226637802e-09 ] [ 1.846153993785817e-09 -7.51157325166377e-09 2.308862441655195e-09 ] [ 5.124991304963175e-10 -1.072922087421018e-09 8.783406207427757e-10 ] [ 1.168377976050467e-08 4.823166383777401e-09 7.937963239457531e-10 ] [ -1.360715786632474e-09 3.317591880804903e-10 -1.174526200658657e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -12.007596 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.92382895832116e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.3067907 2.0994601 3.1853498 ] [ 3.0340331 5.4827613 2.8291741 ] [ 2.651876 3.5999925 1.1539772 ] [ 4.5375574 1.9144526 1.9660878 ] [ 5.5035675 3.2753393 3.8927335 ] [ 5.0928656 4.4978667 1.6941203 ] [ 3.2466127 3.8356186 4.6065304 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.3067907e-10 2.0994601e-10 3.1853498e-10 ] [ 3.0340331e-10 5.4827613e-10 2.8291741e-10 ] [ 2.651876e-10 3.5999925e-10 1.1539772e-10 ] [ 4.5375574e-10 1.9144526e-10 1.9660878e-10 ] [ 5.5035675e-10 3.2753393e-10 3.8927335e-10 ] [ 5.0928656e-10 4.497866700000001e-10 1.6941203e-10 ] [ 3.2466127e-10 3.8356186e-10 4.6065304e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.6e-06 4.3e-06 -2.1e-06 ] [ 4.7e-06 1.3e-06 1e-07 ] [ -5e-07 -6.1e-06 1.8e-06 ] [ 2.6e-06 8e-07 -5e-07 ] [ 1.2e-06 -1.2e-06 -2e-07 ] [ -4.6e-06 2.3e-06 7e-07 ] [ -1.9e-06 -1.3e-06 0.0 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.56348259328e-15 6.889359469440001e-15 -3.36457090368e-15 ] [ 7.53023011776e-15 2.08282960704e-15 1.6021766208e-16 ] [ -8.010883104e-16 -9.77327738688e-15 2.88391791744e-15 ] [ 4.16565921408e-15 1.28174129664e-15 -8.010883104e-16 ] [ 1.92261194496e-15 -1.92261194496e-15 -3.2043532416e-16 ] [ -7.370012455680001e-15 3.68500622784e-15 1.12152363456e-15 ] [ -3.04413557952e-15 -2.08282960704e-15 0.0 ] ] } "relaxed-potential-energy" { "source-value" -17.473824 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.799615228877394e-18 } }