{ "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" [ [ 2.669584 2.17361 1.86928 ] [ 2.40373 2.157546 4.053208 ] [ 2.652376 4.1548 1.079323 ] [ 1.859138 4.715654 3.12876 ] [ 4.632592 2.488435 2.820091 ] [ 5.239324 3.537857 1.028061 ] [ 3.752209 4.156911 4.495978 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.669584e-10 2.17361e-10 1.86928e-10 ] [ 2.40373e-10 2.157546e-10 4.053208e-10 ] [ 2.652376e-10 4.1548e-10 1.079323e-10 ] [ 1.859138e-10 4.715654e-10 3.12876e-10 ] [ 4.632592e-10 2.488435e-10 2.820091e-10 ] [ 5.239324e-10 3.537857e-10 1.028061e-10 ] [ 3.752209000000001e-10 4.156911e-10 4.495978e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.8699048 -4.2984559 -5.6231996 ] [ -8.0011832 1.88262 4.6969002 ] [ 3.7092053 1.613869 -4.2161484 ] [ -0.6235873 -3.1582607 3.5392734 ] [ 9.7612707 -0.6488355 1.1157831 ] [ -3.1418647 2.1701152 -1.5124757 ] [ 2.166064 2.4389479 1.9998669 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.200270995281699e-09 -6.886885548519824e-09 -9.009358933211912e-09 ] [ -1.281930866177773e-08 3.016289749850496e-09 7.525263690670845e-09 ] [ 5.942802013407451e-09 2.585703180833875e-09 -6.755014396303327e-09 ] [ -9.990969930877958e-10 -5.060091455931443e-09 5.670541096099327e-09 ] [ 1.563927970484005e-08 -1.039549068845078e-09 1.787681596703749e-09 ] [ -5.033822168056806e-09 3.476907837882717e-09 -2.423253206068114e-09 ] [ 3.470417099956531e-09 3.907625304729256e-09 3.204139991891772e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -19.707298 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.15745721147386e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.5816477 1.7406535 1.6178186 ] [ 2.3066598 2.3476376 4.0180735 ] [ 2.7318111 4.1800323 0.9881038 ] [ 1.9155991 4.7069389 3.2050349 ] [ 4.6283712 2.4283476 2.9832159 ] [ 5.0630618 3.7623915 1.0781157 ] [ 3.9818023 4.2188116 4.5843385 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.5816477e-10 1.7406535e-10 1.6178186e-10 ] [ 2.3066598e-10 2.3476376e-10 4.0180735e-10 ] [ 2.7318111e-10 4.1800323e-10 9.881038e-11 ] [ 1.9155991e-10 4.7069389e-10 3.2050349e-10 ] [ 4.6283712e-10 2.4283476e-10 2.9832159e-10 ] [ 5.0630618e-10 3.7623915e-10 1.0781157e-10 ] [ 3.9818023e-10 4.2188116e-10 4.5843385e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.77e-05 5.21e-05 0.0001313 ] [ 0.0001224 0.0001658 -1.79e-05 ] [ 5.44e-05 -4.9e-06 -1.76e-05 ] [ 1.22e-05 -0.0001527 7.31e-05 ] [ -0.0001929 2.6e-05 -1.01e-05 ] [ 8.22e-05 4.71e-05 -2.26e-05 ] [ -9.61e-05 -0.0001335 -0.0001361 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.835852618816e-14 8.347340194367999e-14 2.1036579031104e-13 ] [ 1.9610641838592e-13 2.6564088372864e-13 -2.867896151232001e-14 ] [ 8.715840817152e-14 -7.850665441919999e-15 -2.819830852608e-14 ] [ 1.954655477376e-14 -2.4465236999616e-13 1.1711911098048e-13 ] [ -3.0905987015232e-13 4.16565921408e-14 -1.618198387008e-14 ] [ 1.3169891822976e-13 7.546251883968001e-14 -3.620919163008e-14 ] [ -1.5396917325888e-13 -2.138905788768e-13 -2.1805623809088e-13 ] ] } "relaxed-potential-energy" { "source-value" -24.438322 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.91545081599823e-18 } }