{ "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" [ [ -5.7709951 -5.1450473 -10.7355848 ] [ 7.0487017 -5.4317049 2.3467976 ] [ -5.1944339 -5.2229122 10.7071815 ] [ -3.4778535 7.9344267 1.7647541 ] [ 7.3945808 7.8652377 -4.0831484 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.24615342797136e-09 -8.243274496970164e-09 -1.720030297717584e-08 ] [ 1.129326507073321e-08 -8.7025506018648e-09 3.75998424846955e-09 ] [ -8.322400552870965e-09 -8.368027819331093e-09 1.715479587396228e-08 ] [ -5.572135568267453e-09 1.27123529581913e-08 2.827447760480945e-09 ] [ 1.184742447837656e-08 1.260149995997477e-08 -6.541924905736927e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -1.2622385 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.022329014573661e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.7524587 1.9856191 0.7368931 ] [ 3.1069563 1.8912931 2.850387 ] [ 0.7114595 1.8682081 3.1476714 ] [ 1.0027438 4.2546228 2.929673 ] [ 2.5299935 3.5527979 1.1969544 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.524587e-11 1.9856191e-10 7.368931e-11 ] [ 3.1069563e-10 1.8912931e-10 2.850387e-10 ] [ 7.114595000000001e-11 1.8682081e-10 3.1476714e-10 ] [ 1.0027438e-10 4.2546228e-10 2.929673e-10 ] [ 2.5299935e-10 3.5527979e-10 1.1969544e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 7.8e-06 -2.92e-05 -3.2e-05 ] [ 2.56e-05 -2.84e-05 -6.5e-06 ] [ -6.68e-05 -4.7e-05 7.17e-05 ] [ -6.9e-06 4.46e-05 1.72e-05 ] [ 4.02e-05 6e-05 -5.04e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.249697764224e-14 -4.678355732736e-14 -5.12696518656e-14 ] [ 4.101572149248001e-14 -4.550181603071999e-14 -1.04141480352e-14 ] [ -1.0702539826944e-13 -7.530230117759999e-14 1.1487606371136e-13 ] [ -1.105501868352e-14 7.145707728768e-14 2.755743787776e-14 ] [ 6.440750015616e-14 9.6130597248e-14 -8.074970168832e-14 ] ] } "relaxed-potential-energy" { "source-value" -8.3509582 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.337970998931805e-18 } }