{ "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" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.70835 3.598 3.116557 ] [ 5.398567 2.472121 1.998263 ] [ 3.170959 1.761622 1.993892 ] [ 5.798068 2.225895 4.322659 ] [ 3.522139 1.857386 4.354431 ] [ 3.141461 3.938126 0.8725825 ] [ 4.820562 4.158888 3.263025 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.70835e-10 3.598e-10 3.116557e-10 ] [ 5.398567e-10 2.472121e-10 1.998263e-10 ] [ 3.170959e-10 1.761622e-10 1.993892e-10 ] [ 5.798068e-10 2.225895e-10 4.322659e-10 ] [ 3.522139e-10 1.857386e-10 4.354431e-10 ] [ 3.141461e-10 3.938126e-10 8.725825e-11 ] [ 4.820562e-10 4.158888e-10 3.263025e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.0074121 1.779574 0.9235861 ] [ 1.0998713 -1.2525259 -1.8410253 ] [ 0.6625557 -0.8913626 -0.7704854 ] [ 0.4761889 -0.1406512 0.3831215 ] [ -1.4552662 -2.1717053 1.3670202 ] [ -0.2798325 -0.2996209 -0.4715031 ] [ 1.5038949 2.976292 0.4092859 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.216228761428871e-09 2.851191881273916e-09 1.479748068907187e-09 ] [ 1.762188097267204e-09 -2.00676773045982e-09 -2.94964771826284e-09 ] [ 1.061531261263514e-09 -1.428120330141488e-09 -1.234453704718143e-09 ] [ 7.629387289501626e-10 -2.253480661840608e-10 6.13828315283031e-10 ] [ -2.33159350188997e-09 -3.47945548759396e-09 2.190207822646007e-09 ] [ -4.483410929338049e-10 -4.800456050380506e-10 -7.554312496785653e-10 ] [ 2.409505268771766e-09 4.768545498361127e-09 6.557483056056605e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -19.078329005765543 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.0566852948802e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.7175909 4.0430256 3.7972516 ] [ 5.7118476 2.1943644 1.971557 ] [ 3.5216422 1.4694615 1.6189964 ] [ 5.4142539 2.4782202 4.342047 ] [ 3.2392192 1.7859769 3.9261133 ] [ 3.0392783 3.7452018 1.4316275 ] [ 4.9162739 4.2957877 2.8338167 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.7175909e-10 4.0430256e-10 3.7972516e-10 ] [ 5.7118476e-10 2.1943644e-10 1.971557e-10 ] [ 3.5216422e-10 1.4694615e-10 1.6189964e-10 ] [ 5.4142539e-10 2.4782202e-10 4.342047e-10 ] [ 3.2392192e-10 1.7859769e-10 3.9261133e-10 ] [ 3.0392783e-10 3.7452018e-10 1.4316275e-10 ] [ 4.9162739e-10 4.2957877e-10 2.8338167e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -4.4e-06 1.29e-05 -2.8e-06 ] [ 9.2e-06 2.38e-05 5e-07 ] [ -7.5e-06 -2.03e-05 1.37e-05 ] [ 6.6e-06 -7.3e-06 7.7e-06 ] [ -6.7e-06 -3.7e-06 -2.08e-05 ] [ -4.4e-06 5.9e-06 1.07e-05 ] [ 7.3e-06 -1.13e-05 -9e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.0495771896e-15 2.06680785786e-14 -4.486094575199999e-15 ] [ 1.47400250328e-14 3.81318038892e-14 8.010883169999999e-16 ] [ -1.2016324755e-14 -3.252418567019999e-14 2.19498198858e-14 ] [ 1.05743657844e-14 -1.16958894282e-14 1.23367600818e-14 ] [ -1.07345834478e-14 -5.9280535458e-15 -3.332527398719999e-14 ] [ -7.0495771896e-15 9.452842140600001e-15 1.71432899838e-14 ] [ 1.16958894282e-14 -1.81045959642e-14 -1.4419589706e-14 ] ] } "relaxed-potential-energy" { "source-value" -20.807805005765545 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.333777898506579e-18 } }