{ "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" [ [ 1.999551 1.685791 2.486539 ] [ 2.806467 1.943327 4.558328 ] [ 1.52714 3.922099 3.002179 ] [ 4.336396 2.072479 2.061694 ] [ 5.046676 1.88237 4.081611 ] [ 3.556935 4.352885 1.849563 ] [ 3.300335 4.140991 4.307093 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.999551e-10 1.685791e-10 2.486539e-10 ] [ 2.806467e-10 1.943327e-10 4.558328e-10 ] [ 1.52714e-10 3.922099e-10 3.002179e-10 ] [ 4.336396e-10 2.072479e-10 2.061694e-10 ] [ 5.046676e-10 1.88237e-10 4.081611e-10 ] [ 3.556935e-10 4.352885e-10 1.849563e-10 ] [ 3.300335e-10 4.140991e-10 4.307093e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.2753883 -4.1917508 -5.9417841 ] [ -2.1250415 -5.5275669 9.2618467 ] [ -10.5485465 1.8520661 -4.7441487 ] [ -1.1256399 0.0005864 -11.7316707 ] [ 6.2451891 -0.7472399 7.9581896 ] [ 3.0902348 1.1866375 -2.3034461 ] [ 7.7391922 7.4272677 7.5010134 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.247750558301857e-09 -6.715925131979697e-09 -9.51978757086117e-09 ] [ -3.404691809529763e-09 -8.856138457087932e-09 1.483911424817363e-08 ] [ -1.690063458572167e-08 2.967337005596235e-09 -7.600964132738713e-09 ] [ -1.80347393121965e-09 9.3951637043712e-13 -1.879620851846437e-08 ] [ 1.000589596849499e-08 -1.19721029790893e-09 1.27504253210137e-08 ] [ 4.951101949342564e-09 1.90120285986456e-09 -3.690527488692939e-09 ] [ 1.239955280671772e-08 1.189979466536299e-08 1.201794830178752e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -16.196893 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.595028329419918e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.9193806 1.5152073 2.519555 ] [ 2.7017664 1.7259334 4.846581 ] [ 1.5035346 3.9304868 2.7746389 ] [ 4.2218161 1.9973704 1.7010005 ] [ 5.0054962 2.2083315 4.027569 ] [ 3.8072683 4.4129188 1.9556513 ] [ 3.4142379 4.2096939 4.5220113 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.9193806e-10 1.5152073e-10 2.519555e-10 ] [ 2.7017664e-10 1.7259334e-10 4.846581e-10 ] [ 1.5035346e-10 3.9304868e-10 2.7746389e-10 ] [ 4.2218161e-10 1.9973704e-10 1.7010005e-10 ] [ 5.0054962e-10 2.2083315e-10 4.027569e-10 ] [ 3.8072683e-10 4.4129188e-10 1.9556513e-10 ] [ 3.4142379e-10 4.209693900000001e-10 4.5220113e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.37e-05 1.06e-05 -8.9e-06 ] [ 2.6e-06 7.6e-06 -4.75e-05 ] [ 1.47e-05 3.01e-05 2.18e-05 ] [ -4.26e-05 -3.57e-05 4.14e-05 ] [ 2.93e-05 2.64e-05 5.1e-06 ] [ -1.02e-05 -5.4e-06 -1.9e-05 ] [ -2.75e-05 -3.36e-05 7e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.399335212096e-14 1.698307218048e-14 -1.425937192512e-14 ] [ 4.16565921408e-15 1.217654231808e-14 -7.610338948800001e-14 ] [ 2.355199632576e-14 4.822551628608e-14 3.492745033344e-14 ] [ -6.825272404608e-14 -5.719770536256001e-14 6.633011210111999e-14 ] [ 4.694377498944e-14 4.229746278912e-14 8.17110076608e-15 ] [ -1.634220153216e-14 -8.65175375232e-15 -3.04413557952e-14 ] [ -4.4059857072e-14 -5.383313445888e-14 1.12152363456e-14 ] ] } "relaxed-potential-energy" { "source-value" -21.757316 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.485906302655777e-18 } }