{ "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" [ [ 0.0409962 0.6822116 1.595736 ] [ 0.3790876 1.575629 0.6188876 ] [ 0.3154214 2.976467 2.437822 ] [ 1.63698 0.1180447 0.631717 ] [ 1.584423 0.2949968 2.813326 ] [ 2.305753 1.803926 1.00695 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.099619999999999e-12 6.822116000000001e-11 1.595736e-10 ] [ 3.790876e-11 1.575629e-10 6.188876e-11 ] [ 3.154214e-11 2.976467e-10 2.437822e-10 ] [ 1.63698e-10 1.180447e-11 6.31717e-11 ] [ 1.584423e-10 2.949968e-11 2.813326e-10 ] [ 2.305753e-10 1.803926e-10 1.00695e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -56.1381446 -54.7090621 56.7677729 ] [ -11.9866765 63.6886301 -72.9308788 ] [ -4.7227562 14.5424892 8.8035758 ] [ 18.8831369 -33.7137381 -20.7900946 ] [ 14.5802636 -15.9927449 33.6012539 ] [ 39.3841767 26.1844259 -5.4516292 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.994322281320977e-08 -8.765358024251535e-08 9.09519985552638e-08 ] [ -1.920477284939277e-08 1.020404341569992e-07 -1.168481489477584e-07 ] [ -7.56668956937825e-09 2.32996362044765e-08 1.410488332620066e-08 ] [ 3.025412046854579e-08 -5.401536298359422e-08 -3.330940351234033e-08 ] [ 2.336015746502125e-08 -2.562320198119843e-08 5.383514342814483e-08 ] [ 6.31004071381961e-08 4.195207500605e-08 -8.734472849510607e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 46.764956 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 7.492571917594069e-18 } "relaxed-configuration-positions" { "source-value" [ [ -0.9547808 0.0933663 1.9912967 ] [ -0.1145159 1.6258445 0.2960721 ] [ 0.9924255 2.7809691 2.2979765 ] [ 2.0299343 0.2399975 0.5151818 ] [ 1.2672673 0.3206981 2.9603929 ] [ 3.0423306 2.3903995 1.0435187 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -9.547808e-11 9.33663e-12 1.9912967e-10 ] [ -1.145159e-11 1.6258445e-10 2.960721e-11 ] [ 9.924255e-11 2.7809691e-10 2.2979765e-10 ] [ 2.0299343e-10 2.399975e-11 5.151818e-11 ] [ 1.2672673e-10 3.206981e-11 2.9603929e-10 ] [ 3.0423306e-10 2.3903995e-10 1.0435187e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.27e-05 9.1e-06 -7.4e-06 ] [ 2.83e-05 -1.56e-05 3.95e-05 ] [ 6e-07 -3.06e-05 -7.6e-06 ] [ -2.65e-05 6.9e-06 1.02e-05 ] [ -2.05e-05 3.71e-05 -4.23e-05 ] [ -1.46e-05 -6.9e-06 7.6e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.239117550016001e-14 1.457980724928e-14 -1.185610699392e-14 ] [ 4.534159836864e-14 -2.499395528448e-14 6.32859765216e-14 ] [ 9.6130597248e-16 -4.902660459647999e-14 -1.217654231808e-14 ] [ -4.24576804512e-14 1.105501868352e-14 1.634220153216e-14 ] [ -3.28446207264e-14 5.944075263168e-14 -6.777207105984e-14 ] [ -2.339177866368e-14 -1.105501868352e-14 1.217654231808e-14 ] ] } "relaxed-potential-energy" { "source-value" -14.949664 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.395200214961541e-18 } }