{ "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" [ [ 1.931726 1.779285 1.793394 ] [ 2.022352 0.7174538 3.630998 ] [ 4.124201 0.9725878 2.711634 ] [ 3.467636 2.844975 3.645464 ] [ 5.471294 3.704408 2.165903 ] [ 3.262896 3.451778 1.529715 ] [ 3.831227 5.45457 3.339943 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.931726e-10 1.779285e-10 1.793394e-10 ] [ 2.022352e-10 7.174538e-11 3.630998e-10 ] [ 4.124201e-10 9.725878e-11 2.711634e-10 ] [ 3.467636e-10 2.844975e-10 3.645464e-10 ] [ 5.471294000000001e-10 3.704408e-10 2.165903e-10 ] [ 3.262896e-10 3.451778e-10 1.529715e-10 ] [ 3.831227000000001e-10 5.454570000000001e-10 3.339943e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.3313968 -1.1767804 -3.8842151 ] [ -0.930606 -2.6014692 5.1317829 ] [ 2.9932611 -4.6985184 -2.0067487 ] [ -0.5564241 3.1423277 5.8592704 ] [ 0.6978364 0.7100326 1.282618 ] [ 0.8750193 6.8124941 -5.1849252 ] [ 0.2523101 -2.1880863 -1.1977823 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.337486111542371e-09 -1.885410060229174e-09 -6.223198674649973e-09 ] [ -1.490995188660204e-09 -4.168013166310672e-09 8.222022653140759e-09 ] [ 4.795732993881136e-09 -7.527856394899065e-09 -3.215165877449876e-09 ] [ -8.914896916144793e-10 5.034564017310961e-09 9.387586127167832e-09 ] [ 1.118057174434678e-09 1.137597641098268e-09 2.054980589947812e-09 ] [ 1.401935476759036e-09 1.091481886628286e-08 -8.307166004477776e-09 ] [ 4.042453467422034e-10 -3.505700743035514e-09 -1.919058813678778e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -16.897659 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.707303441909981e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.2647457 1.7185962 1.6203634 ] [ 1.9359558 1.1487896 3.9960232 ] [ 3.8441841 0.2058219 2.7576504 ] [ 3.8887952 2.6230536 3.4341749 ] [ 5.4562133 4.1671176 2.2251426 ] [ 3.1734224 3.9515156 1.3201942 ] [ 3.5480156 5.1101631 3.4635023 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.2647457e-10 1.7185962e-10 1.6203634e-10 ] [ 1.9359558e-10 1.1487896e-10 3.9960232e-10 ] [ 3.8441841e-10 2.058219e-11 2.757650400000001e-10 ] [ 3.8887952e-10 2.6230536e-10 3.4341749e-10 ] [ 5.456213300000001e-10 4.1671176e-10 2.2251426e-10 ] [ 3.1734224e-10 3.9515156e-10 1.3201942e-10 ] [ 3.5480156e-10 5.110163100000001e-10 3.4635023e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -9.9e-06 6.1e-06 -1.02e-05 ] [ 8.9e-06 1.87e-05 6.3e-06 ] [ 5.7e-06 -2.93e-05 1.64e-05 ] [ 4e-07 -3.5e-06 -2.23e-05 ] [ -1.9e-06 8.9e-06 4.4e-06 ] [ 7.5e-06 1.79e-05 8.9e-06 ] [ -1.07e-05 -1.87e-05 -3.5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.58615486766e-14 9.773277467399999e-15 -1.63422016668e-14 ] [ 1.42593720426e-14 2.99607030558e-14 1.00937127942e-14 ] [ 9.1324068138e-15 -4.69437753762e-14 2.62756967976e-14 ] [ 6.408706536e-16 -5.607618218999999e-15 -3.572853893819999e-14 ] [ -3.0441356046e-15 1.42593720426e-14 7.0495771896e-15 ] [ 1.2016324755e-14 2.86789617486e-14 1.42593720426e-14 ] [ -1.71432899838e-14 -2.99607030558e-14 -5.607618218999999e-15 ] ] } "relaxed-potential-energy" { "source-value" -20.717925 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.319377533996445e-18 } }