{ "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" [ [ 2.464863 1.11645 1.673921 ] [ 1.905798 2.509771 3.967609 ] [ 1.228636 3.135192 1.685921 ] [ 4.446536 2.449344 1.565667 ] [ 4.18286 2.007242 3.638636 ] [ 3.206224 4.029955 3.010958 ] [ 5.270591 3.951163 3.865389 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.464863e-10 1.11645e-10 1.673921e-10 ] [ 1.905798e-10 2.509771000000001e-10 3.967609e-10 ] [ 1.228636e-10 3.135192e-10 1.685921e-10 ] [ 4.446536e-10 2.449344e-10 1.565667e-10 ] [ 4.18286e-10 2.007242e-10 3.638636e-10 ] [ 3.206224e-10 4.029955e-10 3.010958e-10 ] [ 5.270591e-10 3.951163e-10 3.865389e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.1019812 0.605464 -0.0525534 ] [ -0.8031127 -0.8369997 -0.0499872 ] [ 0.423045 -0.4627738 0.5000167 ] [ -0.0945434 0.1396005 -1.7603648 ] [ -0.0356074 -2.0923829 2.2981451 ] [ -0.7926609 2.1686625 -1.1769709 ] [ 1.2008982 0.4784293 0.2417145 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.63391894401129e-10 9.700602655360512e-10 -8.419982882355072e-11 ] [ -1.286728391807564e-09 -1.341021350956614e-09 -8.008832317925376e-11 ] [ 6.777928085463361e-10 -7.414453630787751e-10 8.011150667495674e-10 ] [ -1.514752251309427e-10 2.236646573519904e-10 -2.820415326639268e-09 ] [ -5.704934380747391e-11 -3.352366964141705e-09 3.682034350426078e-09 ] [ -1.269982762202287e-09 3.47458035590568e-09 -1.885715259341935e-09 ] [ 1.924051020000803e-09 7.665282391657094e-10 3.872693208083617e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -20.60858 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.301858506388647e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.1556923 1.2185325 1.7028704 ] [ 1.965761 2.9567463 4.2499539 ] [ 1.450136 2.7726017 1.9708203 ] [ 4.4527074 3.095077 1.2644692 ] [ 3.6753038 1.4045647 3.9965647 ] [ 3.0361516 4.4722125 2.6801517 ] [ 4.9697559 3.2793824 3.5432709 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.1556923e-10 1.2185325e-10 1.7028704e-10 ] [ 1.965761e-10 2.9567463e-10 4.249953900000001e-10 ] [ 1.450136e-10 2.7726017e-10 1.9708203e-10 ] [ 4.4527074e-10 3.095077e-10 1.2644692e-10 ] [ 3.6753038e-10 1.4045647e-10 3.9965647e-10 ] [ 3.0361516e-10 4.472212500000001e-10 2.6801517e-10 ] [ 4.9697559e-10 3.2793824e-10 3.5432709e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.82e-05 -2e-07 -1.39e-05 ] [ 1.12e-05 1.99e-05 3.3e-05 ] [ -9.14e-05 -8.1e-06 -2.07e-05 ] [ 5.98e-05 -0.0 -2.87e-05 ] [ 3.01e-05 -7.41e-05 4.05e-05 ] [ -6.3e-06 6.96e-05 -2.05e-05 ] [ -2.15e-05 -7.1e-06 1.03e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.915961449856e-14 -3.2043532416e-16 -2.227025502912e-14 ] [ 1.794437815296e-14 3.188331475392e-14 5.28718284864e-14 ] [ -1.4643894314112e-13 -1.297763062848e-14 -3.316505605055999e-14 ] [ 9.581016192383999e-14 0.0 -4.598246901696e-14 ] [ 4.822551628608e-14 -1.1872128760128e-13 6.488815314240001e-14 ] [ -1.009371271104e-14 1.1151149280768e-13 -3.28446207264e-14 ] [ -3.44467973472e-14 -1.137545400768e-14 1.650241919424e-14 ] ] } "relaxed-potential-energy" { "source-value" -22.96247 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.678993258982137e-18 } }