{ "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" [ [ 2.317023 1.146232 2.35214 ] [ 1.137751 1.512768 4.697187 ] [ 2.525224 3.828296 5.439775 ] [ 1.195151 3.273987 3.261847 ] [ 3.958209 2.788765 2.245111 ] [ 4.201729 2.884975 4.427405 ] [ 3.756146 4.818354 3.421856 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.317023e-10 1.146232e-10 2.35214e-10 ] [ 1.137751e-10 1.512768e-10 4.697187e-10 ] [ 2.525224e-10 3.828296e-10 5.439775e-10 ] [ 1.195151e-10 3.273987e-10 3.261847e-10 ] [ 3.958209e-10 2.788765e-10 2.245111e-10 ] [ 4.201729000000001e-10 2.884975e-10 4.427405e-10 ] [ 3.756146e-10 4.818354e-10 3.421856e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.0175982 -1.0908616 -1.6211359 ] [ -1.9958558 -5.0537361 4.8605543 ] [ -7.111723 1.1628922 5.3765813 ] [ -1.7956054 4.0997915 -2.392502 ] [ 2.4256848 -5.3133153 -10.5904692 ] [ 8.6759823 -7.5109634 7.5722257 ] [ 0.8191153 13.7061929 -3.2052541 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.630372045408162e-09 -1.747752952048481e-09 -2.597346038119567e-09 ] [ -3.197713501248081e-09 -8.096977827112971e-09 7.787466463588911e-09 ] [ -1.139423632420564e-08 1.863158695350678e-09 8.614232858690471e-09 ] [ -2.876876992062232e-09 6.568590091454564e-09 -3.833210769617241e-09 ] [ 3.886375475989924e-09 -8.512869552598939e-09 -1.696780215554248e-08 ] [ 1.390045600353461e-08 -1.203388995916448e-08 1.213204298396091e-08 ] [ 1.312367383399578e-09 2.195974182455495e-08 -5.135383182743345e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -10.679502 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.711044842618684e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.2586709 1.8275209 1.8799402 ] [ 0.4579528 1.0270298 5.2332269 ] [ 2.6969821 4.1176388 4.8377374 ] [ 0.9625263 2.8261514 3.7377937 ] [ 4.4639984 2.8427717 2.4228764 ] [ 4.5227972 2.3870993 4.9066861 ] [ 3.7283053 5.225165 2.8270603 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.2586709e-10 1.8275209e-10 1.8799402e-10 ] [ 4.579528e-11 1.0270298e-10 5.2332269e-10 ] [ 2.6969821e-10 4.1176388e-10 4.8377374e-10 ] [ 9.625263e-11 2.8261514e-10 3.7377937e-10 ] [ 4.4639984e-10 2.8427717e-10 2.4228764e-10 ] [ 4.522797200000001e-10 2.3870993e-10 4.9066861e-10 ] [ 3.7283053e-10 5.225165e-10 2.8270603e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -5.44e-05 4.2e-06 -3.19e-05 ] [ -1.41e-05 -4.3e-06 2.97e-05 ] [ 3.44e-05 -5.1e-05 -4.2e-06 ] [ 1.41e-05 -8.4e-06 1.01e-05 ] [ 8.64e-05 3.82e-05 4.61e-05 ] [ -6.49e-05 4.91e-05 -3.82e-05 ] [ -1.4e-06 -2.79e-05 -1.17e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.715840817152e-14 6.72914180736e-15 -5.110943420352001e-14 ] [ -2.259069035328e-14 -6.889359469440001e-15 4.758464563776e-14 ] [ 5.511487575552001e-14 -8.17110076608e-14 -6.72914180736e-15 ] [ 2.259069035328e-14 -1.345828361472e-14 1.618198387008e-14 ] [ 1.3842806003712e-13 6.120314691456e-14 7.386034221888001e-14 ] [ -1.0398126268992e-13 7.866687208128001e-14 -6.120314691456e-14 ] [ -2.24304726912e-15 -4.470072772032e-14 -1.874546646336e-14 ] ] } "relaxed-potential-energy" { "source-value" -20.528281 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.288993188341284e-18 } }