{ "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" [ [ 0.9136055 0.1992462 0.0711002 ] [ 0.7203108 0.3740979 2.589381 ] [ 1.027468 2.872573 2.429267 ] [ 2.566191 2.896163 0.5924317 ] [ 2.633567 2.125326 2.686178 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.136055e-11 1.992462e-11 7.11002e-12 ] [ 7.203108000000001e-11 3.740979e-11 2.589381e-10 ] [ 1.027468e-10 2.872573e-10 2.429267e-10 ] [ 2.566191e-10 2.896163e-10 5.924317e-11 ] [ 2.633567e-10 2.125326e-10 2.686178e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.1144326 0.1043552 1.4976123 ] [ 2.9557266 5.2665578 -1.646502 ] [ -21.8866376 7.5777514 -5.0975812 ] [ -1.482554 0.3992034 0.3177717 ] [ 20.5278976 -13.3478677 4.9286992 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.833412378878684e-10 1.671954630763968e-10 2.399439433850998e-09 ] [ 4.735596095012264e-09 8.437955848770445e-09 -2.637987032234267e-09 ] [ -3.506625935954584e-08 1.214089623134079e-08 -8.16722548855768e-09 ] [ -2.375313377443236e-09 6.395943596933555e-10 5.091263926864578e-10 ] [ 3.288931787986467e-08 -2.138564174266332e-08 7.896646694254492e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -10.701731 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.714606335155345e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.1667671 0.4762803 0.1648383 ] [ 0.8746311 0.6803471 2.4557971 ] [ 0.7876828 2.9706057 2.3766832 ] [ 2.2004111 2.4981079 0.6331114 ] [ 2.8316502 1.8420652 2.7379279 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.1667671e-10 4.762803e-11 1.648383e-11 ] [ 8.746311e-11 6.803471e-11 2.4557971e-10 ] [ 7.876828e-11 2.9706057e-10 2.3766832e-10 ] [ 2.2004111e-10 2.4981079e-10 6.331114e-11 ] [ 2.8316502e-10 1.8420652e-10 2.7379279e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.1e-06 -5e-05 -7.25e-05 ] [ 6.2e-06 6.5e-06 3.19e-05 ] [ -2.86e-05 4.66e-05 4.52e-05 ] [ 1.74e-05 2.9e-06 -1.39e-05 ] [ 6e-06 -6e-06 9.3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.7623942974e-15 -8.010883169999999e-14 -1.16157805965e-13 ] [ 9.9334951308e-15 1.0414148121e-14 5.11094346246e-14 ] [ -4.58222517324e-14 7.466143114439999e-14 7.24183838568e-14 ] [ 2.78778734316e-14 4.6463122386e-15 -2.22702552126e-14 ] [ 9.613059803999999e-15 -9.613059803999999e-15 1.49002426962e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.987077 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.042065111735881e-18 } }