{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.4009464 1.193297 0.9558509 ] [ 0.2244953 2.906435 0.4394059 ] [ 0.3187826 2.815079 2.795658 ] [ 1.502588 0.0124763 2.860219 ] [ 2.103704 2.743898 0.1444875 ] [ 2.704733 1.991532 2.940817 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.009464e-11 1.193297e-10 9.558509e-11 ] [ 2.244953e-11 2.906435e-10 4.394059e-11 ] [ 3.187826e-11 2.815079e-10 2.795658e-10 ] [ 1.502588e-10 1.24763e-12 2.860219e-10 ] [ 2.103704e-10 2.743898e-10 1.444875e-11 ] [ 2.704733e-10 1.991532e-10 2.940817e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.7788847 -15.74003 1.963717 ] [ -7.4255826 10.8500018 -3.4360353 ] [ -0.0014475 2.2901064 4.7178262 ] [ 0.2852309 -0.0740542 -0.4012084 ] [ 10.5545585 1.9571502 -2.2122286 ] [ -0.6338747 0.7168257 -0.6320709 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.452264098238821e-09 -2.521830807669063e-08 3.146221467267514e-09 ] [ -1.189709483753928e-08 1.738361921959792e-08 -5.505135425903515e-09 ] [ -2.319150658608e-12 3.669154933224453e-09 7.558790838637705e-09 ] [ 4.569902795097427e-10 -1.186479079120474e-10 -6.428067185485749e-10 ] [ 1.691026687156592e-08 3.135700293834044e-09 -3.544380942785115e-09 ] [ -1.015579224856614e-09 1.148481377728595e-09 -1.012689218668015e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -3.9222765 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.284179708613252e-19 } "relaxed-configuration-positions" { "source-value" [ [ -0.0139688 0.5191769 0.9167285 ] [ 0.1944211 2.7577439 0.6283117 ] [ 0.4451451 3.3067946 2.8855624 ] [ 1.6188948 0.1007666 2.4365129 ] [ 2.527494 2.8069913 0.5106766 ] [ 2.4832631 2.171244 2.7586462 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.39688e-12 5.191769e-11 9.167285e-11 ] [ 1.944211e-11 2.7577439e-10 6.283117000000001e-11 ] [ 4.451451e-11 3.3067946e-10 2.8855624e-10 ] [ 1.6188948e-10 1.007666e-11 2.4365129e-10 ] [ 2.527494e-10 2.8069913e-10 5.106766e-11 ] [ 2.4832631e-10 2.171244e-10 2.7586462e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.6e-06 -6.6e-06 -6e-06 ] [ 1.16e-05 -1.92e-05 2.94e-05 ] [ 2.46e-05 8.1e-06 -1.34e-05 ] [ -1.03e-05 -4.5e-06 -1.8e-05 ] [ -6.3e-06 -1.2e-06 1.42e-05 ] [ -2.22e-05 2.34e-05 -6.2e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.16565921408e-15 -1.057436569728e-14 -9.6130597248e-15 ] [ 1.858524880128e-14 -3.076179111936e-14 4.710399265152e-14 ] [ 3.941354487168e-14 1.297763062848e-14 -2.146916671872e-14 ] [ -1.650241919424e-14 -7.2097947936e-15 -2.88391791744e-14 ] [ -1.009371271104e-14 -1.92261194496e-15 2.275090801536e-14 ] [ -3.556832098176e-14 3.749093292672001e-14 -9.93349504896e-15 ] ] } "relaxed-potential-energy" { "source-value" -11.433831 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.831901671437829e-18 } }