{ "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" [ [ 1.7614219 2.3863476 -0.2991496 ] [ -0.0570453 0.601051 0.7462651 ] [ -3.490857 -1.5191606 -1.0827878 ] [ 0.8792653 -0.5621837 1.4596294 ] [ -1.5564275 0.5003772 -0.7083778 ] [ 2.2217643 0.2972208 0.3105846 ] [ 0.2418783 -1.7036523 -0.4261638 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.822109010795884e-09 3.823350365321978e-09 -4.792904991904464e-10 ] [ -9.139664673952019e-11 9.629898680423338e-10 1.195648505989673e-09 ] [ -5.592969518035338e-09 -2.43396361661342e-09 -1.734817312740265e-09 ] [ 1.408738318747e-09 -9.007175881556656e-10 2.33858411897944e-09 ] [ -2.493671773015035e-09 8.016926580263447e-10 -1.134946359204325e-09 ] [ 3.559658847715365e-09 4.762002208987872e-10 4.976113890002363e-10 ] [ 3.875317605316421e-10 -2.729551907520358e-09 -6.827896826166492e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -16.623213005765543 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.663332345984246e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.4985409 2.0140312 3.2678075 ] [ 3.1315567 5.3454885 2.5502084 ] [ 2.3844645 3.4799455 1.3634893 ] [ 4.4291433 2.3069052 1.8489007 ] [ 5.3994978 3.1046184 3.9100566 ] [ 5.2595247 4.5607919 2.0000017 ] [ 3.2705752 3.8937103 4.3875088 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4985409e-10 2.0140312e-10 3.2678075e-10 ] [ 3.1315567e-10 5.3454885e-10 2.5502084e-10 ] [ 2.3844645e-10 3.4799455e-10 1.3634893e-10 ] [ 4.4291433e-10 2.3069052e-10 1.8489007e-10 ] [ 5.3994978e-10 3.1046184e-10 3.9100566e-10 ] [ 5.259524700000001e-10 4.5607919e-10 2.0000017e-10 ] [ 3.2705752e-10 3.8937103e-10 4.3875088e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.6e-06 1.39e-05 6.7e-06 ] [ 5.4e-06 6.27e-05 2.53e-05 ] [ -2.2e-06 -4.9e-05 -7.6e-06 ] [ 2.7e-06 1.78e-05 -4e-06 ] [ 2.94e-05 -4.6e-06 -4.2e-06 ] [ -2.01e-05 -3.21e-05 2.06e-05 ] [ -1.37e-05 -8.8e-06 -3.67e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.5634826144e-15 2.22702552126e-14 1.07345834478e-14 ] [ 8.6517538236e-15 1.004564749518e-13 4.053506884019999e-14 ] [ -3.5247885948e-15 -7.850665506599998e-14 -1.21765424184e-14 ] [ 4.3258769118e-15 2.851874408519999e-14 -6.408706535999999e-15 ] [ 4.710399303959999e-14 -7.370012516399999e-15 -6.729141862799999e-15 ] [ -3.22037503434e-14 -5.14298699514e-14 3.300483866039999e-14 ] [ -2.19498198858e-14 -1.40991543792e-14 -5.879988246779999e-14 ] ] } "relaxed-potential-energy" { "source-value" -20.807805005765545 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.333777898506579e-18 } }