{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.4191919 0.8222526 0.2510936 ] [ 0.2848942 2.623705 0.3718827 ] [ 0.6213019 2.72569 2.983351 ] [ 2.411362 0.3472546 0.8650246 ] [ 2.114314 0.6145619 2.800723 ] [ 2.695562 2.69906 2.453497 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.191919e-11 8.222526e-11 2.510936e-11 ] [ 2.848942e-11 2.623705000000001e-10 3.718827e-11 ] [ 6.213019e-11 2.72569e-10 2.983351e-10 ] [ 2.411362e-10 3.472546e-11 8.650246000000001e-11 ] [ 2.114314e-10 6.145619e-11 2.800723e-10 ] [ 2.695562e-10 2.69906e-10 2.453497e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -8.6961247 -19.8612721 -2.4215066 ] [ 0.5045801 20.117492 -4.8685885 ] [ -6.053584 1.9114613 6.6678951 ] [ 9.5607235 -2.5240218 -11.2588601 ] [ -1.8465836 -6.913548 12.9913975 ] [ 6.5309888 7.2698885 -1.1103373 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.393272768590142e-08 -3.182126581796732e-08 -3.879681261632897e-09 ] [ 8.084264395409261e-10 3.223177535153103e-08 -7.800338670995741e-09 ] [ -9.698910756848948e-09 3.062498606423975e-09 1.068314563916688e-08 ] [ 1.531796766963315e-08 -4.043928718349534e-09 -1.803868242907795e-08 ] [ -2.958553072272699e-09 -1.10767249723786e-08 2.081451334601957e-08 ] [ 1.046379756606665e-08 1.164764539052278e-08 -1.778956463262196e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 3.8106026 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 6.105258396879694e-19 } "relaxed-configuration-positions" { "source-value" [ [ -0.0606144 0.7857558 -0.2877204 ] [ 0.0562608 2.6478484 -0.2447951 ] [ 0.6996 3.6011193 3.6404989 ] [ 2.6379537 -0.4919514 0.9501484 ] [ 2.8213438 0.0444268 2.7282273 ] [ 2.3920822 3.2453251 2.9392128 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -6.06144e-12 7.857558000000001e-11 -2.877204e-11 ] [ 5.62608e-12 2.6478484e-10 -2.447951e-11 ] [ 6.996e-11 3.6011193e-10 3.6404989e-10 ] [ 2.6379537e-10 -4.919514e-11 9.501484e-11 ] [ 2.8213438e-10 4.442680000000001e-12 2.7282273e-10 ] [ 2.3920822e-10 3.2453251e-10 2.9392128e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.7e-06 3.99e-05 -4.62e-05 ] [ -1.67e-05 -4.01e-05 -7.4e-06 ] [ -5.8e-06 -3.3e-06 2.4e-06 ] [ -4.2e-05 6.66e-05 0.0001675 ] [ 5.7e-05 -9.17e-05 -0.000122 ] [ 6e-06 2.86e-05 5.8e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.72370025536e-15 6.392684716992e-14 -7.402055988096e-14 ] [ -2.675634956736e-14 -6.424728249408e-14 -1.185610699392e-14 ] [ -9.292624400640001e-15 -5.28718284864e-15 3.84522388992e-15 ] [ -6.72914180736e-14 1.0670496294528e-13 2.68364583984e-13 ] [ 9.13240673856e-14 -1.4691959612736e-13 -1.954655477376e-13 ] [ 9.6130597248e-15 4.582225135488e-14 9.292624400640001e-15 ] ] } "relaxed-potential-energy" { "source-value" -32.352436 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.183431658512826e-18 } }