{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.5633223 0.534565 2.657113 ] [ 0.571871 1.718695 0.3060373 ] [ 0.67165 2.82724 1.843012 ] [ 2.670346 0.5025148 0.7068498 ] [ 2.297338 0.3834159 2.609917 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.633223000000001e-11 5.34565e-11 2.657113e-10 ] [ 5.71871e-11 1.718695e-10 3.060373e-11 ] [ 6.7165e-11 2.82724e-10 1.843012e-10 ] [ 2.670346e-10 5.025148000000001e-11 7.068498e-11 ] [ 2.297338e-10 3.834159e-11 2.609917e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -24.8734322 3.4369584 2.4625173 ] [ 0.0736746 -7.6699587 -9.2321315 ] [ -1.0515288 8.188203 9.58282 ] [ 4.1002607 0.7890098 -11.8531831 ] [ 21.7510257 -4.7442125 9.0399774 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.985163187822321e-08 5.506614440510024e-09 3.945387678880768e-09 ] [ 1.180397226392964e-10 -1.228862861288501e-08 -1.479150537131537e-08 ] [ -1.684734873338059e-09 1.31189475210487e-08 1.535337029182788e-08 ] [ 6.569341886848482e-09 1.264133065557013e-09 -1.899089300134369e-08 ] [ 3.484898514207349e-08 -7.601066414230724e-09 1.448364056216807e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -5.2870187 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.470737824661055e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.3715255 0.8444583 2.679244 ] [ 0.6683499 1.4294593 0.3307209 ] [ 0.3801212 3.1054606 1.9776468 ] [ 2.8163185 0.5675844 0.4673116 ] [ 2.5382122 0.0194682 2.6680059 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.715255e-11 8.444583e-11 2.679244e-10 ] [ 6.683499e-11 1.4294593e-10 3.307209e-11 ] [ 3.801212e-11 3.1054606e-10 1.9776468e-10 ] [ 2.8163185e-10 5.675844e-11 4.673116e-11 ] [ 2.5382122e-10 1.94682e-12 2.6680059e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.04e-05 7.1e-06 2.28e-05 ] [ 4.7e-06 -2.81e-05 -1.49e-05 ] [ 1.16e-05 -2.3e-06 1.76e-05 ] [ 2.19e-05 1.39e-05 -2.8e-05 ] [ -2.78e-05 9.3e-06 2.6e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.66626369936e-14 1.13754541014e-14 3.65296272552e-14 ] [ 7.530230179799999e-15 -4.50211634154e-14 -2.38724318466e-14 ] [ 1.85852489544e-14 -3.685006258199999e-15 2.81983087584e-14 ] [ 3.50876682846e-14 2.22702552126e-14 -4.486094575199999e-14 ] [ -4.454051042519999e-14 1.49002426962e-14 4.165659248399999e-15 ] ] } "relaxed-potential-energy" { "source-value" -14.04812 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.250756961562808e-18 } }