{ "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" [ [ 0.0662807 0.8720519 0.0908129 ] [ 1.491471 1.392356 0.9155942 ] [ 0.0089195 1.355999 1.632084 ] [ 2.755779 1.093572 2.625507 ] [ 1.848544 2.519779 2.293479 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.62807e-12 8.720519e-11 9.08129e-12 ] [ 1.491471e-10 1.392356e-10 9.155942e-11 ] [ 8.919500000000001e-13 1.355999e-10 1.632084e-10 ] [ 2.755779e-10 1.093572e-10 2.625507e-10 ] [ 1.848544e-10 2.519779e-10 2.293479e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -33.0895072 -29.9132843 -74.527743 ] [ 66.4474304 4.804151 -29.0284138 ] [ -61.8526071 6.6995416 70.5986885 ] [ 28.6805602 -31.5097507 20.3274092 ] [ -0.1858763 49.9193424 12.630059 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.301523482963327e-08 -4.792636475680369e-08 -1.194066074355909e-07 ] [ 1.064605194991152e-07 7.69709841499294e-09 -4.650864592926809e-08 ] [ -9.909880103114809e-08 1.073384892159702e-08 1.131115681738418e-07 ] [ 4.595132302388698e-08 -5.048418589877644e-08 3.256809978167483e-08 ] [ -2.978066622208071e-10 7.997960331899017e-08 2.023558524912463e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 57.498472 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 9.212270757012342e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.102479 0.543871 0.1066213 ] [ 2.2806122 1.6738763 0.3078462 ] [ -0.6621511 1.6828304 2.1578457 ] [ 2.925451 0.5331915 2.6492079 ] [ 1.524603 2.7999886 2.3359561 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.02479e-11 5.43871e-11 1.066213e-11 ] [ 2.2806122e-10 1.6738763e-10 3.078462e-11 ] [ -6.621511e-11 1.6828304e-10 2.1578457e-10 ] [ 2.925451e-10 5.331915e-11 2.6492079e-10 ] [ 1.524603e-10 2.7999886e-10 2.3359561e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.99e-05 8.2e-06 1.4e-06 ] [ -7.2e-06 -1.7e-05 1.36e-05 ] [ 2.4e-06 -7.2e-06 7.1e-06 ] [ -6.1e-06 -1.2e-05 -1.77e-05 ] [ -9e-06 2.81e-05 -4.3e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.188331475392e-14 1.313784829056e-14 2.24304726912e-15 ] [ -1.153567166976e-14 -2.72370025536e-14 2.178960204288e-14 ] [ 3.84522388992e-15 -1.153567166976e-14 1.137545400768e-14 ] [ -9.77327738688e-15 -1.92261194496e-14 -2.835852618816e-14 ] [ -1.44195895872e-14 4.502116304448e-14 -6.889359469440001e-15 ] ] } "relaxed-potential-energy" { "source-value" -12.065358 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.933083450918225e-18 } }