{ "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" [ [ 2.146483 1.678803 1.689789 ] [ 0.9939717 3.024801 3.865516 ] [ 2.198915 3.863733 1.927968 ] [ 4.22715 2.33689 1.172014 ] [ 3.633184 2.755923 3.714191 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.146483e-10 1.678803e-10 1.689789e-10 ] [ 9.939717000000001e-11 3.024801e-10 3.865516e-10 ] [ 2.198915e-10 3.863733e-10 1.927968e-10 ] [ 4.22715e-10 2.33689e-10 1.172014e-10 ] [ 3.633184e-10 2.755923e-10 3.714191e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.9667019 -1.3414953 4.177084 ] [ 2.6177194 -2.0902455 -2.2671911 ] [ -0.4376106 3.8216063 -0.1781881 ] [ 2.7827448 0.3681981 0.1351431 ] [ -1.9961517 -0.7580636 -1.8668478 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.75318042506294e-09 -2.149312406573082e-09 6.692426327917747e-09 ] [ 4.194048822494604e-09 -3.348942471832406e-09 -3.632440575305834e-09 ] [ -7.011294723342605e-10 6.122888267761991e-09 -2.854888079247725e-10 ] [ 4.458448660212772e-09 5.899183876429804e-10 2.165231152824365e-10 ] [ -3.198187585310175e-09 -1.214551776999483e-09 -2.991019899751914e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -14.4027 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.307566921639616e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.0219825 1.4899757 1.9318717 ] [ 1.0313705 2.9637515 3.7768042 ] [ 2.328317 4.0503106 1.8547179 ] [ 4.2485069 2.5003227 1.1709731 ] [ 3.5695268 2.6557895 3.6351112 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0219825e-10 1.4899757e-10 1.9318717e-10 ] [ 1.0313705e-10 2.9637515e-10 3.7768042e-10 ] [ 2.328317e-10 4.050310600000001e-10 1.8547179e-10 ] [ 4.2485069e-10 2.5003227e-10 1.1709731e-10 ] [ 3.5695268e-10 2.6557895e-10 3.6351112e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.000122 6.64e-05 -9.12e-05 ] [ -7.81e-05 1.64e-05 0.0001196 ] [ 4.49e-05 -6.74e-05 -8.4e-06 ] [ -8.09e-05 -4.47e-05 7.76e-05 ] [ -7.9e-06 2.93e-05 -9.76e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.954655477376e-13 1.0638452762112e-13 -1.4611850781696e-13 ] [ -1.2512999408448e-13 2.627569658112e-14 1.9162032384768e-13 ] [ 7.193773027392e-14 -1.0798670424192e-13 -1.345828361472e-14 ] [ -1.2961608862272e-13 -7.161729494976001e-14 1.2432890577408e-13 ] [ -1.265719530432e-14 4.694377498944e-14 -1.5637243819008e-13 ] ] } "relaxed-potential-energy" { "source-value" -16.118168 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.58241519397267e-18 } }