{ "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" [ [ 1.086446 2.17872 1.239282 ] [ 2.929314 1.55844 2.269162 ] [ 0.8330856 2.151385 3.328528 ] [ 0.5041522 4.058533 2.531522 ] [ 2.750614 3.605463 1.493085 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.086446e-10 2.17872e-10 1.239282e-10 ] [ 2.929314e-10 1.55844e-10 2.269162e-10 ] [ 8.330856e-11 2.151385e-10 3.328528e-10 ] [ 5.041522000000001e-11 4.058533e-10 2.531522e-10 ] [ 2.750614e-10 3.605463e-10 1.493085e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -36.9417796 -26.2695989 -68.4648633 ] [ 30.7876865 -41.5276799 26.7190558 ] [ 1.1670109 -49.5200075 59.7643461 ] [ -11.3793001 66.0689052 -8.6727255 ] [ 16.3663822 51.2483812 -9.345813 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.918725609349785e-08 -4.20885375421321e-08 -1.096928042292641e-07 ] [ 4.932731192521724e-08 -6.653467840001144e-08 4.280864688530217e-08 ] [ 1.86975759560331e-09 -7.933979893200474e-08 9.575303886770902e-08 ] [ -1.823164873149386e-08 1.058540561454011e-07 -1.389523814919597e-08 ] [ 2.622183514395351e-08 8.210895888896487e-08 -1.497364321433344e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 14.422715 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.310773697184131e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.8614452 2.0656432 0.8922237 ] [ 3.0477671 1.4972524 2.4508455 ] [ 0.7423777 1.8759523 3.6276043 ] [ 0.5732736 4.2461626 2.5337607 ] [ 2.8787482 3.8675305 1.3571448 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.614452000000001e-11 2.0656432e-10 8.922237e-11 ] [ 3.0477671e-10 1.4972524e-10 2.4508455e-10 ] [ 7.423777000000001e-11 1.8759523e-10 3.6276043e-10 ] [ 5.732736000000001e-11 4.2461626e-10 2.5337607e-10 ] [ 2.8787482e-10 3.8675305e-10 1.3571448e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.8e-06 -6.8e-06 5.2e-06 ] [ -1.81e-05 -1.35e-05 3.25e-05 ] [ -0.0 -1.98e-05 -1.51e-05 ] [ 3.29e-05 1.6e-06 4.2e-06 ] [ -1.76e-05 3.86e-05 -2.68e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.486094575199999e-15 -1.08948011112e-14 8.331318496799998e-15 ] [ -2.899939707539999e-14 -2.162938455899999e-14 5.207074060499999e-14 ] [ 0.0 -3.17230973532e-14 -2.41928671734e-14 ] [ 5.271161125859999e-14 2.5634826144e-15 6.729141862799999e-15 ] [ -2.81983087584e-14 6.18440180724e-14 -4.293833379119999e-14 ] ] } "relaxed-potential-energy" { "source-value" -16.806069 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.692629106119175e-18 } }