{ "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" [ [ 2.176849 1.681974 3.211274 ] [ 2.864727 5.809081 2.248654 ] [ 2.905691 3.612446 1.71083 ] [ 4.50356 2.090932 1.710731 ] [ 5.648677 2.904188 3.876429 ] [ 4.83518 4.522991 2.188517 ] [ 3.438619 4.083879 4.381538 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.176849e-10 1.681974e-10 3.211274e-10 ] [ 2.864727e-10 5.809081e-10 2.248654e-10 ] [ 2.905691e-10 3.612446e-10 1.71083e-10 ] [ 4.503560000000001e-10 2.090932e-10 1.710731e-10 ] [ 5.648677e-10 2.904188e-10 3.876429e-10 ] [ 4.835180000000001e-10 4.522991000000001e-10 2.188517e-10 ] [ 3.438619e-10 4.083879e-10 4.381538e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 4.2746439 1.560326 -2.9868996 ] [ -0.3080958 0.8143344 3.2572788 ] [ -6.9643669 -2.4014171 0.0099937 ] [ -0.8958959 -2.8464454 3.2886963 ] [ -1.1494658 0.0258568 -0.4627767 ] [ 5.0592907 1.4163225 1.2595718 ] [ -0.0161101 1.4310229 -4.3658644 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.848734575250632e-09 2.499917858622684e-09 -4.785540747223946e-09 ] [ -4.936238917935371e-10 1.30470754794241e-09 5.218735983783559e-09 ] [ -1.115814591778301e-08 -3.847494366108041e-09 1.60116726272058e-11 ] [ -1.4353834774764e-09 -4.560508309836783e-09 5.269072368182254e-09 ] [ -1.841647246342117e-09 4.142716079001119e-11 -7.414500154996277e-10 ] [ 8.105877344153502e-09 2.269198815708465e-09 2.018056506805321e-09 ] [ -2.58112257914034e-11 2.292751453098919e-09 -6.99488592889243e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -17.005778 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.724626015459125e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.3832629 2.1685969 3.1658313 ] [ 3.070746 5.3847041 2.8240079 ] [ 2.709674 3.5924235 1.2267092 ] [ 4.499035 1.998279 1.9874822 ] [ 5.423839 3.28832 3.8244771 ] [ 5.0218246 4.4438932 1.7275652 ] [ 3.2649216 3.8292743 4.5719001 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.3832629e-10 2.1685969e-10 3.1658313e-10 ] [ 3.070746e-10 5.384704100000001e-10 2.8240079e-10 ] [ 2.709674e-10 3.5924235e-10 1.2267092e-10 ] [ 4.499035e-10 1.998279e-10 1.9874822e-10 ] [ 5.423839e-10 3.28832e-10 3.8244771e-10 ] [ 5.0218246e-10 4.4438932e-10 1.7275652e-10 ] [ 3.2649216e-10 3.8292743e-10 4.5719001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.11e-05 2.76e-05 -9e-06 ] [ 1.75e-05 -1.37e-05 -1.2e-06 ] [ -1.51e-05 -8.5e-06 -1.14e-05 ] [ 1.68e-05 -2e-06 1.88e-05 ] [ -5e-07 4.4e-06 -2.6e-06 ] [ -6.3e-06 1.42e-05 -1.23e-05 ] [ -1.3e-06 -2.18e-05 1.77e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.77841606374e-14 4.42200750984e-14 -1.4419589706e-14 ] [ 2.8038091095e-14 -2.19498198858e-14 -1.9226119608e-15 ] [ -2.41928671734e-14 -1.3618501389e-14 -1.82648136276e-14 ] [ 2.691656745119999e-14 -3.204353268e-15 3.012092071919999e-14 ] [ -8.010883169999999e-16 7.0495771896e-15 -4.165659248399999e-15 ] [ -1.00937127942e-14 2.27509082028e-14 -1.97067725982e-14 ] [ -2.0828296242e-15 -3.492745062119999e-14 2.83585264218e-14 ] ] } "relaxed-potential-energy" { "source-value" -22.526286 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.609108908000132e-18 } }