{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.0140975 0.5833675 2.011711 ] [ 0.3860738 2.863563 1.325373 ] [ 1.128451 1.622429 0.5509609 ] [ 2.086312 0.6042059 2.517228 ] [ 2.318087 2.883056 0.8671461 ] [ 2.902063 1.818717 2.74846 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.40975e-12 5.833675e-11 2.011711e-10 ] [ 3.860738e-11 2.863563e-10 1.325373e-10 ] [ 1.128451e-10 1.622429e-10 5.509609e-11 ] [ 2.086312e-10 6.042059e-11 2.517228e-10 ] [ 2.318087e-10 2.883056e-10 8.671461e-11 ] [ 2.902063e-10 1.818717e-10 2.74846e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -10.1259818 -7.3027089 4.4283045 ] [ -21.8693259 23.1779112 5.3354901 ] [ -3.6296246 -18.9969206 -25.5272201 ] [ -7.0449649 -36.6644706 6.6050759 ] [ 16.743137 16.4883136 -5.1608652 ] [ 25.9267602 23.2978753 14.3192148 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.62236113026063e-08 -1.170022946808808e-08 7.094925939683434e-09 ] [ -3.503852266963592e-08 3.713510744361848e-08 8.548397498729855e-09 ] [ -5.815299676400552e-09 -3.043642205251391e-08 -4.089911523823585e-08 ] [ -1.128727805713661e-08 -5.874295760932895e-08 1.058249818558952e-08 ] [ 2.682546266025145e-08 2.641719056633868e-08 -8.268617566540316e-09 ] [ 4.153924904552793e-08 3.732731111997379e-08 2.294191118077335e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 20.0605 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 3.21404641015584e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.034305 0.7407643 1.6943935 ] [ 0.0354964 3.1536998 1.9716514 ] [ 1.3931875 1.1229536 -0.2820995 ] [ 1.8120902 0.2865591 3.1746597 ] [ 2.2012367 3.1005117 0.8735254 ] [ 3.3587686 1.9708499 2.5887484 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.4305e-12 7.407643000000001e-11 1.6943935e-10 ] [ 3.54964e-12 3.1536998e-10 1.9716514e-10 ] [ 1.3931875e-10 1.1229536e-10 -2.820995e-11 ] [ 1.8120902e-10 2.865591e-11 3.1746597e-10 ] [ 2.2012367e-10 3.1005117e-10 8.735254000000001e-11 ] [ 3.3587686e-10 1.9708499e-10 2.5887484e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -6e-07 -2.93e-05 1.46e-05 ] [ -2.41e-05 2.52e-05 -2.12e-05 ] [ -1.41e-05 6.9e-06 4.3e-06 ] [ 1.58e-05 -6e-06 -2.3e-06 ] [ 2.77e-05 1.78e-05 -4e-07 ] [ -4.7e-06 -1.46e-05 5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.6130597248e-16 -4.694377498944e-14 2.339177866368e-14 ] [ -3.861245656128e-14 4.037485084416e-14 -3.396614436096001e-14 ] [ -2.259069035328e-14 1.105501868352e-14 6.889359469440001e-15 ] [ 2.531439060864e-14 -9.6130597248e-15 -3.68500622784e-15 ] [ 4.438029239616e-14 2.851874385024e-14 -6.408706483200001e-16 ] [ -7.53023011776e-15 -2.339177866368e-14 8.010883104e-15 ] ] } "relaxed-potential-energy" { "source-value" -9.5540646 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.53072989357329e-18 } }