{ "relaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 4.17064e-12 1.393533e-10 2.342657e-10 ] [ 1.3356241e-10 1.860853e-10 8.95188e-12 ] [ 4.6178e-11 7.90623e-12 -8.57732e-11 ] [ 2.4801573e-10 2.9501623e-10 1.6248291e-10 ] [ 3.6692159e-10 2.9897897e-10 3.4736708e-10 ] ] "source-value" [ [ 0.0417064 1.393533 2.342657 ] [ 1.3356241 1.860853 0.0895188 ] [ 0.46178 0.0790623 -0.857732 ] [ 2.4801573 2.9501623 1.6248291 ] [ 3.6692159 2.9897897 3.4736708 ] ] } "relaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ 0.0 0.0 0.0 ] [ 3.107931048207015e-10 3.34810853890128e-10 4.081370304236333e-10 ] [ -8.5984813796784e-11 -8.362016132214528e-11 -1.14920123568432e-10 ] [ -3.280301219955782e-10 -3.578607280629293e-10 -4.297226753826855e-10 ] [ 1.032216707539987e-10 1.066698752772845e-10 1.365057685274842e-10 ] ] "source-value" [ [ 0.0 0.0 0.0 ] [ 0.1939818 0.2089725 0.2547391 ] [ -0.0536675 -0.0521916 -0.0717275 ] [ -0.2047403 -0.2233591 -0.2682118 ] [ 0.0644259 0.0665781 0.0852002 ] ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "relaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -1.343963107450065e-18 "source-value" -8.388358 } "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ 0.0 0.0 0.0 ] [ -1.532836419372552e-08 -8.1364444040308e-09 -7.592412835460517e-09 ] [ -2.803101404986593e-09 3.699795279355956e-09 -9.334609438988065e-10 ] [ 1.671405551061133e-08 5.924735549395986e-09 4.934007045233953e-09 ] [ 1.417410088100778e-09 -1.48808626450348e-09 3.591866894343034e-09 ] ] "source-value" [ [ 0.0 0.0 0.0 ] [ -9.5672125 -5.0783692 -4.7388114 ] [ -1.7495583 2.3092306 -0.5826205 ] [ 10.432093 3.6979291 3.079565 ] [ 0.8846778 -0.9287904 2.241867 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -6.607875301978918e-19 "source-value" -4.1243114 } "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 4.170636e-12 1.393533e-10 2.342657e-10 ] [ 9.221083e-11 2.569653e-10 2.410471e-11 ] [ 1.810038e-10 5.140043e-11 5.075901e-11 ] [ 2.608454e-10 2.928842e-10 8.878785000000001e-11 ] [ 2.606177e-10 1.867368e-10 2.693771e-10 ] ] "source-value" [ [ 0.04170636 1.393533 2.342657 ] [ 0.9221083 2.569653 0.2410471 ] [ 1.810038 0.5140043 0.5075901 ] [ 2.608454 2.928842 0.8878785 ] [ 2.606177 1.867368 2.693771 ] ] } "instance-id" 1 }