{ "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" [ [ 0.1779892 2.357943 0.2667025 ] [ 0.683577 1.802827 2.30843 ] [ 1.994264 0.9284256 0.4445094 ] [ 2.959137 1.015728 2.327469 ] [ 2.670153 2.85418 1.122954 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.779892e-11 2.357943e-10 2.667025e-11 ] [ 6.83577e-11 1.802827e-10 2.30843e-10 ] [ 1.994264e-10 9.284256e-11 4.445094e-11 ] [ 2.959137e-10 1.015728e-10 2.327469e-10 ] [ 2.670153e-10 2.85418e-10 1.122954e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.4467608 2.0968514 -3.471292 ] [ -0.6165188 -0.5497809 4.7159901 ] [ -2.2944644 -6.407959 -7.4086817 ] [ 3.4326421 -2.5039834 6.6074824 ] [ 0.9251019 7.3648719 -0.4434987 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.317966348747147e-09 3.359526318050187e-09 -5.561622932191128e-09 ] [ -9.877720157817192e-10 -8.808461117994905e-10 7.555849144395323e-09 ] [ -3.676137249224829e-09 -1.026668218143001e-08 -1.18700167084834e-08 ] [ 5.49969896550469e-09 -4.011823695403875e-09 1.058635391084624e-08 ] [ 1.482176648249004e-09 1.179982567058318e-08 -7.105632543493757e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -10.685411 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.711991582888657e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.3003592 2.5568772 0.1371365 ] [ 0.7142986 1.693363 2.415324 ] [ 1.8610482 0.6517785 0.3420737 ] [ 3.0936979 1.0267783 2.4508867 ] [ 2.5157163 3.0303066 1.124644 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.003592e-11 2.556877200000001e-10 1.371365e-11 ] [ 7.142986e-11 1.693363e-10 2.415324e-10 ] [ 1.8610482e-10 6.517785e-11 3.420737e-11 ] [ 3.0936979e-10 1.0267783e-10 2.4508867e-10 ] [ 2.5157163e-10 3.0303066e-10 1.124644e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1e-07 -3.05e-05 5.9e-06 ] [ 1.08e-05 2.46e-05 3.8e-06 ] [ 1.53e-05 4.61e-05 -1.7e-06 ] [ -1.55e-05 -2.27e-05 2e-07 ] [ -1.08e-05 -1.75e-05 -8.2e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.602176634e-16 -4.886638733699999e-14 9.452842140600001e-15 ] [ 1.73035076472e-14 3.94135451964e-14 6.088271209199999e-15 ] [ 2.45133025002e-14 7.386034282739999e-14 -2.7237002778e-15 ] [ -2.4833737827e-14 -3.636940959179999e-14 3.204353268e-16 ] [ -1.73035076472e-14 -2.8038091095e-14 -1.31378483988e-14 ] ] } "relaxed-potential-energy" { "source-value" -13.399219 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.146791559564885e-18 } }