{ "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" [ [ 2.026325 2.332401 2.957561 ] [ 3.78119 1.739305 1.09586 ] [ 4.095572 1.356929 3.585425 ] [ 3.432411 4.018052 0.5968462 ] [ 4.864307 3.437474 2.341714 ] [ 3.124173 4.42761 2.898506 ] [ 3.279186 3.336979 4.610213 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.026325e-10 2.332401e-10 2.957561e-10 ] [ 3.78119e-10 1.739305e-10 1.09586e-10 ] [ 4.095572e-10 1.356929e-10 3.585425e-10 ] [ 3.432411e-10 4.018052e-10 5.968462e-11 ] [ 4.864307000000001e-10 3.437474e-10 2.341714e-10 ] [ 3.124173e-10 4.42761e-10 2.898506e-10 ] [ 3.279186e-10 3.336979e-10 4.610213e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.5139289 -0.4891124 -1.4782845 ] [ -0.9393807 -0.1960695 1.1708108 ] [ 0.2136298 0.750486 -0.7580177 ] [ -0.673246 -0.1278438 -0.4870516 ] [ 3.8994868 -1.1118 -0.068782 ] [ -2.3889614 2.7297067 -1.5456345 ] [ 0.4024004 -1.5553671 3.1669594 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.234048751173226e-10 -7.836444586796616e-10 -2.368472884304373e-09 ] [ -1.505053807970564e-09 -3.14137971540063e-10 1.875845706594847e-09 ] [ 3.422726738860932e-10 1.202411133344124e-09 -1.214478247098422e-09 ] [ -1.078659010133964e-09 -2.048283491617692e-10 -7.803426930723143e-10 ] [ 6.247666635551431e-09 -1.781299981681199e-09 -1.10200913239788e-10 ] [ -3.827538134607927e-09 4.373472292413247e-09 -2.476379480604273e-09 ] [ 6.447165183922535e-10 -2.491972824912341e-09 5.074028351506659e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -17.926410005765543 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.872127524274136e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.0089704 2.3830955 2.7981712 ] [ 3.5697413 1.7247306 1.213689 ] [ 4.2562285 1.5471897 3.5131499 ] [ 3.4452024 3.956726 0.5299038 ] [ 5.0607334 3.3837385 2.3469878 ] [ 3.0479777 4.4896841 2.8419682 ] [ 3.2143103 3.1635855 4.8422553 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0089704e-10 2.3830955e-10 2.7981712e-10 ] [ 3.5697413e-10 1.7247306e-10 1.213689e-10 ] [ 4.2562285e-10 1.5471897e-10 3.5131499e-10 ] [ 3.4452024e-10 3.956726e-10 5.299038000000001e-11 ] [ 5.060733400000001e-10 3.3837385e-10 2.3469878e-10 ] [ 3.0479777e-10 4.4896841e-10 2.8419682e-10 ] [ 3.2143103e-10 3.1635855e-10 4.8422553e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.0001194 5.6e-06 0.0001021 ] [ 5.06e-05 1.18e-05 -0.0001563 ] [ -0.0001558 3.89e-05 7.19e-05 ] [ -6.29e-05 -4.54e-05 0.0001569 ] [ -0.0001544 0.0001098 6.23e-05 ] [ 0.0001828 -8.51e-05 -0.0001366 ] [ 2.03e-05 -3.55e-05 -0.0001002 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.912998900996e-13 8.972189150399999e-15 1.635822343314e-13 ] [ 8.107013768039999e-14 1.89056842812e-14 -2.504202078942e-13 ] [ -2.496191195771999e-13 6.232467106259999e-14 1.151964999846e-13 ] [ -1.007769102786e-13 -7.273881918359998e-14 2.513815138745999e-13 ] [ -2.473760722896e-13 1.759189944132e-13 9.981560429819998e-14 ] [ 2.928778886952e-13 -1.363452315534e-13 -2.188573282044e-13 ] [ 3.252418567019999e-14 -5.6877270507e-14 -1.605380987268e-13 ] ] } "relaxed-potential-energy" { "source-value" -19.577002005765543 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.136581517740868e-18 } }