{ "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" [ [ 2.428537 1.662164 2.065612 ] [ 2.677805 2.654077 4.303636 ] [ 2.380622 3.799595 2.643621 ] [ 4.65403 2.78928 1.862185 ] [ 4.978196 2.955414 4.623231 ] [ 4.975087 5.409268 1.773954 ] [ 3.793479 4.953224 3.972917 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.428537e-10 1.662164e-10 2.065612e-10 ] [ 2.677805e-10 2.654077e-10 4.303636e-10 ] [ 2.380622e-10 3.799595e-10 2.643621e-10 ] [ 4.65403e-10 2.78928e-10 1.862185e-10 ] [ 4.978196e-10 2.955414e-10 4.623231e-10 ] [ 4.975087000000001e-10 5.409268e-10 1.773954e-10 ] [ 3.793479e-10 4.953223999999999e-10 3.972917e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.7210283 -0.6808028 -0.0859119 ] [ 0.2607509 -2.6482761 3.861072 ] [ -0.9213474 3.600294 -4.277437 ] [ 0.0142734 0.806543 0.3679546 ] [ -0.0034714 0.0953248 -0.8915357 ] [ -1.140827 -1.7416525 1.0990187 ] [ 1.0695933 0.5685695 -0.0731607 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.155214685195169e-09 -1.090766329535178e-09 -1.376460376285075e-10 ] [ 4.177689958325588e-10 -4.243006052843403e-09 6.186119289625498e-09 ] [ -1.476161263914866e-09 5.768306874806516e-09 -6.853209558344889e-09 ] [ 2.286850777932672e-11 1.292224338269894e-09 5.895282576358158e-10 ] [ -5.561795921445119e-12 1.527271659424359e-10 -1.428397655148563e-09 ] [ -1.827806347777402e-09 -2.790434917057872e-09 1.760822066962009e-09 ] [ 1.713677379024321e-09 9.109487601999455e-10 -1.172163631013625e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -18.94752 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.035727356614042e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.7774126 1.9833641 2.0952302 ] [ 2.6428156 2.7666326 4.352405 ] [ 2.1561159 4.2622869 2.478576 ] [ 5.0763314 2.5978599 1.9885972 ] [ 5.0345274 2.8450956 4.3573808 ] [ 4.3760788 4.8685447 1.8223012 ] [ 3.8244743 4.8992383 4.1506655 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.7774126e-10 1.9833641e-10 2.0952302e-10 ] [ 2.6428156e-10 2.7666326e-10 4.352405e-10 ] [ 2.1561159e-10 4.2622869e-10 2.478576e-10 ] [ 5.076331400000001e-10 2.5978599e-10 1.9885972e-10 ] [ 5.034527400000001e-10 2.8450956e-10 4.3573808e-10 ] [ 4.3760788e-10 4.8685447e-10 1.8223012e-10 ] [ 3.8244743e-10 4.899238300000001e-10 4.1506655e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -7.7e-06 -1.48e-05 -4.7e-06 ] [ -5.8e-06 1.03e-05 -2.3e-05 ] [ 2.4e-06 -4.2e-06 1.17e-05 ] [ 7.1e-06 5.5e-06 -6e-06 ] [ 7.4e-06 -2.8e-06 -4.6e-06 ] [ -7.2e-06 -2.17e-05 2.53e-05 ] [ 3.7e-06 2.78e-05 1.3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.233675998016e-14 -2.371221398784e-14 -7.53023011776e-15 ] [ -9.292624400640001e-15 1.650241919424e-14 -3.68500622784e-14 ] [ 3.84522388992e-15 -6.72914180736e-15 1.874546646336e-14 ] [ 1.137545400768e-14 8.8119714144e-15 -9.6130597248e-15 ] [ 1.185610699392e-14 -4.48609453824e-15 -7.370012455680001e-15 ] [ -1.153567166976e-14 -3.476723267136e-14 4.053506850624e-14 ] [ 5.928053496960001e-15 4.454051005824e-14 2.08282960704e-15 ] ] } "relaxed-potential-energy" { "source-value" -21.541441 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.451319314854257e-18 } }