{ "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" [ [ 0.9066893 0.9379891 0.1369545 ] [ 0.7550462 2.78121 2.963246 ] [ 2.797941 0.0158314 0.1688765 ] [ 2.09203 0.1495358 1.796908 ] [ 2.487588 2.015226 1.460751 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.066893000000001e-11 9.379891e-11 1.369545e-11 ] [ 7.550462e-11 2.78121e-10 2.963246e-10 ] [ 2.797941e-10 1.58314e-12 1.688765e-11 ] [ 2.09203e-10 1.495358e-11 1.796908e-10 ] [ 2.487588e-10 2.015226e-10 1.460751e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -21.8058105 3.3911431 -20.4950517 ] [ -0.3786406 1.3218576 0.729691 ] [ -0.4744426 -7.4295831 9.8253446 ] [ 17.1598332 -5.2853871 -1.2467525 ] [ 5.4990606 8.0019696 11.1867684 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.493675978069516e-08 5.433210192607236e-09 -3.28366926758273e-08 ] [ -6.066491170056844e-10 2.117849342746798e-09 1.169093860608173e-09 ] [ -7.60140841631566e-10 -1.190350434511079e-08 1.574193740942353e-08 ] [ 2.749308356986765e-08 -8.468123643497913e-09 -1.997517707423952e-09 ] [ 8.81046632968242e-09 1.282056861347233e-08 1.792317879278422e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -0.80616795 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.291623441928263e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.9995409 1.4128674 -0.4556441 ] [ 0.5276501 2.6467765 3.1446746 ] [ 2.096844 -0.6985698 0.4048119 ] [ 3.0835647 0.1627849 1.9097294 ] [ 2.3316949 2.3759334 1.5231642 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.995409e-11 1.4128674e-10 -4.556441e-11 ] [ 5.276501e-11 2.6467765e-10 3.1446746e-10 ] [ 2.096844e-10 -6.985698e-11 4.048119e-11 ] [ 3.083564700000001e-10 1.627849e-11 1.9097294e-10 ] [ 2.3316949e-10 2.3759334e-10 1.5231642e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 6.2e-06 -1.03e-05 6e-06 ] [ 4.4e-06 -3.93e-05 1.14e-05 ] [ -8.64e-05 -3.4e-05 -0.0001163 ] [ 3.1e-05 0.0001327 0.0001395 ] [ 4.49e-05 -4.91e-05 -4.07e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.93349504896e-15 -1.650241919424e-14 9.6130597248e-15 ] [ 7.04957713152e-15 -6.296554119743999e-14 1.826481347712e-14 ] [ -1.3842806003712e-13 -5.44740051072e-14 -1.8633314099904e-13 ] [ 4.96674752448e-14 2.1260883758016e-13 2.235036386016e-13 ] [ 7.193773027392e-14 -7.866687208128001e-14 -6.520858846656e-14 ] ] } "relaxed-potential-energy" { "source-value" -11.614052 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.860776258715548e-18 } }