{ "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" [ [ 1.899847 1.906187 1.523281 ] [ 1.884769 1.70171 3.709853 ] [ 2.49478 3.91064 2.644859 ] [ 3.453021 0.2240813 2.013003 ] [ 4.505277 2.817941 2.046258 ] [ 4.372743 1.259433 3.808578 ] [ 3.775648 3.545824 4.38804 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.899847e-10 1.906187e-10 1.523281e-10 ] [ 1.884769e-10 1.70171e-10 3.709853e-10 ] [ 2.49478e-10 3.91064e-10 2.644859e-10 ] [ 3.453021e-10 2.240813e-11 2.013003e-10 ] [ 4.505277e-10 2.817941e-10 2.046258e-10 ] [ 4.372743e-10 1.259433e-10 3.808578e-10 ] [ 3.775648e-10 3.545824e-10 4.38804e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -6.3900833 5.5268651 -34.7945797 ] [ 4.4629272 -13.6128466 51.392582 ] [ 4.6888045 19.5062932 -33.4667292 ] [ -2.8378197 -12.8725684 -16.8308223 ] [ 5.7519375 2.8626099 -46.5710873 ] [ 5.7050085 -0.7970769 24.5568028 ] [ -11.3807747 -0.6132762 55.7138338 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.023804206822451e-08 8.855014049535456e-09 -5.574706212590228e-08 ] [ 7.150397620172406e-09 -2.181018456505677e-08 8.23399933629469e-08 ] [ 7.512292949401834e-09 3.125252692351002e-08 -5.36196110988847e-08 ] [ -4.54668837738567e-09 -2.062412814012886e-08 -2.696594999789929e-08 ] [ 9.2156197868028e-09 4.586406656250626e-09 -7.46151072772958e-08 ] [ 9.140431240165278e-09 -1.277057974159739e-09 3.934433532775597e-08 ] [ -1.823401115093214e-08 -9.825767897330652e-10 8.926340196949682e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 12.211993 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.956576967797326e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.3615986 1.9408044 1.7641449 ] [ 1.6377417 1.3508184 4.4075044 ] [ 2.8750334 4.1533973 2.0190773 ] [ 3.5650851 0.3734191 1.4484611 ] [ 5.1676703 2.7163542 1.7183635 ] [ 4.5386189 1.1372701 4.0988715 ] [ 3.2403371 3.6937529 4.6774492 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.3615986e-10 1.9408044e-10 1.7641449e-10 ] [ 1.6377417e-10 1.3508184e-10 4.4075044e-10 ] [ 2.8750334e-10 4.1533973e-10 2.0190773e-10 ] [ 3.5650851e-10 3.734191e-11 1.4484611e-10 ] [ 5.167670300000001e-10 2.7163542e-10 1.7183635e-10 ] [ 4.538618900000001e-10 1.1372701e-10 4.0988715e-10 ] [ 3.2403371e-10 3.6937529e-10 4.6774492e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.83e-05 -1.51e-05 -6.6e-06 ] [ -4.11e-05 1.29e-05 2.13e-05 ] [ 2.19e-05 -7.92e-05 -2.38e-05 ] [ -7.26e-05 -1.04e-05 -3.74e-05 ] [ 1.78e-05 7.47e-05 1.62e-05 ] [ 4.49e-05 -2.25e-05 -7e-06 ] [ -9.3e-06 3.97e-05 3.72e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.136336457664001e-14 -2.419286697408e-14 -1.057436569728e-14 ] [ -6.584945911488e-14 2.066807840832e-14 3.412636202304e-14 ] [ 3.508766799552e-14 -1.2689238836736e-13 -3.813180357504e-14 ] [ -1.1631802267008e-13 -1.666263685632e-14 -5.992140561792e-14 ] [ 2.851874385024e-14 1.1968259357376e-13 2.595526125696e-14 ] [ 7.193773027392e-14 -3.604897396800001e-14 -1.12152363456e-14 ] [ -1.490024257344e-14 6.360641184576e-14 5.960097029376001e-14 ] ] } "relaxed-potential-energy" { "source-value" -19.619169 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.143337389132412e-18 } }