{ "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" [ [ 1.593193 1.569284 2.84459 ] [ 1.603337 4.216737 3.188357 ] [ 3.675145 1.205287 1.773064 ] [ 3.545696 2.526378 4.008338 ] [ 3.206595 3.44318 2.117333 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.593193e-10 1.569284e-10 2.84459e-10 ] [ 1.603337e-10 4.216737e-10 3.188357e-10 ] [ 3.675145e-10 1.205287e-10 1.773064e-10 ] [ 3.545696e-10 2.526378e-10 4.008338e-10 ] [ 3.206595e-10 3.44318e-10 2.117333e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -266.6026497 171.5623752 217.2725826 ] [ -256.4139311 -373.7769254 97.3293639 ] [ 5.6338339 -16.3683158 -14.1382875 ] [ -13.0069999 -41.9952131 53.5728933 ] [ 530.3897467 260.5780791 -354.0365522 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.271445323926721e-07 2.748732265543577e-07 3.481090521825569e-07 ] [ -4.108204056558421e-07 -5.988566512703857e-07 1.559388313579155e-07 ] [ 9.026396960050485e-09 -2.622493289663125e-08 -2.265203369064888e-08 ] [ -2.083951114652794e-08 -6.728374861433389e-08 8.583323715387296e-08 ] [ 8.497780520747741e-07 4.174921062269932e-07 -5.672290868434788e-07 ] ] } "unrelaxed-potential-energy" { "source-value" 82.743175 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.32569180515763e-17 } "relaxed-configuration-positions" { "source-value" [ [ 1.0629889 1.2645849 2.9591487 ] [ 1.4029808 4.1488019 3.2885932 ] [ 3.6936282 1.0746497 1.6995876 ] [ 3.7322755 2.4805639 4.4546079 ] [ 3.7320927 3.9922657 1.5297446 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.0629889e-10 1.2645849e-10 2.9591487e-10 ] [ 1.4029808e-10 4.1488019e-10 3.2885932e-10 ] [ 3.6936282e-10 1.0746497e-10 1.6995876e-10 ] [ 3.7322755e-10 2.4805639e-10 4.4546079e-10 ] [ 3.7320927e-10 3.9922657e-10 1.5297446e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 5.78e-05 4.39e-05 3.8e-06 ] [ -1.65e-05 -5.2e-06 -1.04e-05 ] [ -1.25e-05 -1.19e-05 -1.1e-05 ] [ -1.27e-05 -2.35e-05 2.46e-05 ] [ -1.62e-05 -3.3e-06 -7e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.260580868224001e-14 7.033555365312e-14 6.08827115904e-15 ] [ -2.64359142432e-14 -8.33131842816e-15 -1.666263685632e-14 ] [ -2.002720776e-14 -1.906590178752e-14 -1.76239428288e-14 ] [ -2.034764308416e-14 -3.76511505888e-14 3.941354487168e-14 ] [ -2.595526125696e-14 -5.28718284864e-15 -1.12152363456e-14 ] ] } "relaxed-potential-energy" { "source-value" -12.044174 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.929689399964722e-18 } }