{ "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" [ [ 1.08267 0.385996 1.67532 ] [ 0.7413004 2.189146 0.0242846 ] [ 0.0452684 1.636125 2.5153 ] [ 2.351375 1.598321 0.2166547 ] [ 2.147702 1.718144 2.949578 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.08267e-10 3.85996e-11 1.67532e-10 ] [ 7.413004e-11 2.189146e-10 2.42846e-12 ] [ 4.52684e-12 1.636125e-10 2.5153e-10 ] [ 2.351375e-10 1.598321e-10 2.166547e-11 ] [ 2.147702e-10 1.718144e-10 2.949578e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 6.9296803 -21.2019355 -11.7955108 ] [ -31.4087357 10.3926116 0.3723302 ] [ -17.2262145 15.4626221 4.3536298 ] [ 31.9848988 -9.3287055 1.1416495 ] [ 9.7203711 4.6754074 5.9279013 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.110257176627833e-08 -3.396924537380956e-08 -1.889849163415391e-08 ] [ -5.032234202742633e-08 1.665079933457488e-08 5.965387416577881e-10 ] [ -2.759943813678596e-08 2.47738516248854e-08 6.97528388117818e-09 ] [ 5.124545707601397e-08 -1.494623385442837e-08 1.82912413804801e-09 ] [ 1.557375132191998e-08 7.490828428995315e-09 9.497544873269927e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 4.2944702 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 6.880499753162301e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.3363957 -0.3308513 1.8527263 ] [ 0.3397095 2.748859 -0.0036982 ] [ -0.057637 1.8053208 2.1662808 ] [ 2.3638448 1.5267574 0.4041021 ] [ 2.3860027 1.7776461 2.9617263 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.3363957e-10 -3.308513000000001e-11 1.8527263e-10 ] [ 3.397095e-11 2.748859e-10 -3.6982e-13 ] [ -5.763700000000001e-12 1.8053208e-10 2.1662808e-10 ] [ 2.3638448e-10 1.5267574e-10 4.041021e-11 ] [ 2.3860027e-10 1.7776461e-10 2.9617263e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -6e-07 -5.2e-06 6e-07 ] [ -3.6e-06 4.9e-06 -5.8e-06 ] [ -6.6e-06 -0.0 5.8e-06 ] [ 7.6e-06 -9e-07 -1.7e-06 ] [ 3.1e-06 1.3e-06 1.1e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.6130597248e-16 -8.33131842816e-15 9.6130597248e-16 ] [ -5.76783583488e-15 7.850665441919999e-15 -9.292624400640001e-15 ] [ -1.057436569728e-14 0.0 9.292624400640001e-15 ] [ 1.217654231808e-14 -1.44195895872e-15 -2.72370025536e-15 ] [ 4.96674752448e-15 2.08282960704e-15 1.76239428288e-15 ] ] } "relaxed-potential-energy" { "source-value" -10.750145 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.722363098921002e-18 } }