{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.61188 5.080623 2.93239 ] [ 4.855786 1.762639 3.084137 ] [ 3.780411 3.32193 1.747479 ] [ 4.346291 4.090656 3.759617 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.61188e-10 5.080623e-10 2.93239e-10 ] [ 4.855786000000001e-10 1.762639e-10 3.084137e-10 ] [ 3.780411e-10 3.32193e-10 1.747479e-10 ] [ 4.346291e-10 4.090656e-10 3.759617e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.9440696 2.8273223 -1.1077636 ] [ 0.9464232 -1.5882298 0.8367361 ] [ -1.4040796 -1.2096176 -5.4798238 ] [ 4.401726 -0.0294749 5.7508513 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.319096155989726e-09 4.529869725847138e-09 -1.774832955915722e-09 ] [ 1.516337136915509e-09 -2.544624674982493e-09 1.340599028244287e-09 ] [ -2.249583527396066e-09 -1.938021054795158e-09 -8.77964565079709e-09 ] [ 7.052342546470283e-09 -4.722399606948659e-11 9.213879578468524e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -6.0971917 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.768778074758737e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.9350991 4.9398348 2.7749334 ] [ 4.862098 2.1880969 2.9868717 ] [ 3.3797106 3.0829848 1.353858 ] [ 4.4174602 4.0449316 4.4079598 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.9350991e-10 4.9398348e-10 2.7749334e-10 ] [ 4.862098e-10 2.1880969e-10 2.9868717e-10 ] [ 3.3797106e-10 3.0829848e-10 1.353858e-10 ] [ 4.4174602e-10 4.0449316e-10 4.407959800000001e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -7.2e-06 -1.52e-05 4e-07 ] [ -2.34e-05 1.14e-05 2.8e-06 ] [ 8.7e-06 -1e-06 -1.72e-05 ] [ 2.19e-05 4.8e-06 1.4e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.15356717648e-14 -2.43530848368e-14 6.408706536e-16 ] [ -3.749093323559999e-14 1.82648136276e-14 4.486094575199999e-15 ] [ 1.39389367158e-14 -1.602176634e-15 -2.75574381048e-14 ] [ 3.50876682846e-14 7.690447843199998e-15 2.243047287599999e-14 ] ] } "relaxed-potential-energy" { "source-value" -8.6379755 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.383956251116446e-18 } }