{ "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" [ [ 1.43906 1.00085 1.609326 ] [ 1.205531 2.018769 3.811036 ] [ 1.566383 3.683465 1.956037 ] [ 3.913976 1.646449 1.998722 ] [ 3.334697 0.9502568 4.182978 ] [ 3.589337 3.768444 1.401362 ] [ 3.236168 3.404887 3.941176 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.43906e-10 1.00085e-10 1.609326e-10 ] [ 1.205531e-10 2.018769e-10 3.811036e-10 ] [ 1.566383e-10 3.683465e-10 1.956037e-10 ] [ 3.913976e-10 1.646449e-10 1.998722e-10 ] [ 3.334697e-10 9.502568000000001e-11 4.182978000000001e-10 ] [ 3.589337e-10 3.768444e-10 1.401362e-10 ] [ 3.236168e-10 3.404887e-10 3.941176e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.3198256 1.8772778 0.083009 ] [ -2.115665 0.4445982 0.0006418 ] [ -3.295597 -1.5118138 0.8331276 ] [ 0.2179436 -2.462667 -1.251818 ] [ 0.9475618 -2.3517786 1.5725485 ] [ 2.5475001 2.0148892 -1.951785 ] [ 0.3784309 1.9894942 0.7142762 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.114593719853332e-09 3.007730601906858e-09 1.329950791159872e-10 ] [ -3.389669000444832e-09 7.123248416897625e-10 1.02827695522944e-12 ] [ -5.280128464978618e-09 -2.422192725362807e-09 1.334817562863214e-09 ] [ 3.491841405729869e-10 -3.945627492215674e-09 -2.005633533096615e-09 ] [ 1.518161362723165e-09 -3.767964690217754e-09 2.519500441774109e-09 ] [ 4.081545101705662e-09 3.228208369742415e-09 -3.127104295828128e-09 ] [ 6.063131405683027e-10 3.187521094457199e-09 1.144396628433865e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -22.651279 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.6291349645018e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.9506164 1.4107343 1.7213634 ] [ 1.010772 2.1330084 3.9946667 ] [ 1.2137338 3.8105027 2.2419647 ] [ 4.4661552 1.5888518 2.1831334 ] [ 3.0208824 0.7599557 3.9583109 ] [ 3.3492789 3.4741957 1.1223773 ] [ 3.2737133 3.2958723 3.6788206 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.9506164e-10 1.4107343e-10 1.7213634e-10 ] [ 1.010772e-10 2.1330084e-10 3.9946667e-10 ] [ 1.2137338e-10 3.8105027e-10 2.2419647e-10 ] [ 4.466155200000001e-10 1.5888518e-10 2.1831334e-10 ] [ 3.0208824e-10 7.599557e-11 3.9583109e-10 ] [ 3.3492789e-10 3.4741957e-10 1.1223773e-10 ] [ 3.2737133e-10 3.2958723e-10 3.6788206e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.55e-05 -2.03e-05 -3.73e-05 ] [ 2.14e-05 2.31e-05 3e-07 ] [ 1.78e-05 -2.56e-05 2.73e-05 ] [ 8.4e-06 1.93e-05 1.95e-05 ] [ -9.3e-06 3.19e-05 -2.02e-05 ] [ -2.7e-06 -1.64e-05 2.2e-05 ] [ -1.02e-05 -1.19e-05 -1.15e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.08555038304e-14 -3.252418540224e-14 -5.976118795584e-14 ] [ 3.428657968511999e-14 3.701027994048e-14 4.8065298624e-16 ] [ 2.851874385024e-14 -4.101572149248001e-14 4.373942174784e-14 ] [ 1.345828361472e-14 3.092200878144e-14 3.12424441056e-14 ] [ -1.490024257344e-14 5.110943420352001e-14 -3.236396774016e-14 ] [ -4.32587687616e-15 -2.627569658112e-14 3.52478856576e-14 ] [ -1.634220153216e-14 -1.906590178752e-14 -1.84250311392e-14 ] ] } "relaxed-potential-energy" { "source-value" -26.557231 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.254937462138501e-18 } }