{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.8670835 0.0748596 0.0624467 ] [ 1.077368 0.92169 1.864842 ] [ 2.976718 2.979813 0.7013645 ] [ 1.541867 2.360612 1.695051 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.670835000000001e-11 7.48596e-12 6.24467e-12 ] [ 1.077368e-10 9.216900000000001e-11 1.864842e-10 ] [ 2.976718e-10 2.979813e-10 7.013645e-11 ] [ 1.541867e-10 2.360612e-10 1.695051e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.4397449 -8.5941601 -9.1075029 ] [ -12.8879783 -40.1169324 9.2892939 ] [ 10.085679 4.1349509 -7.0096844 ] [ 5.2420442 44.5761415 6.8278934 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.908902239496034e-09 -1.376936238763219e-08 -1.45918282202482e-08 ] [ -2.064881752163773e-08 -6.427441118949403e-08 1.488308951032005e-08 ] [ 1.615903909869352e-08 6.624921660135918e-09 -1.123075246486648e-08 ] [ 8.398680662440238e-09 7.141885175677264e-08 1.093949117479462e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 6.6221582 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.060986704727901e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.6379773 -0.6304865 -0.0854115 ] [ 0.6906253 0.6916708 1.7899406 ] [ 3.3361932 3.5885653 0.5867278 ] [ 1.7982407 2.6872249 2.0324472 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.379773e-11 -6.304865e-11 -8.54115e-12 ] [ 6.906253e-11 6.916708e-11 1.7899406e-10 ] [ 3.3361932e-10 3.5885653e-10 5.867278e-11 ] [ 1.7982407e-10 2.6872249e-10 2.0324472e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1e-06 -7e-07 1.4e-06 ] [ 2.5e-06 1.2e-06 -3.8e-06 ] [ 0.0 -7e-07 -7e-07 ] [ -1.5e-06 2e-07 3.1e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.6021766208e-15 -1.12152363456e-15 2.24304726912e-15 ] [ 4.005441552e-15 1.92261194496e-15 -6.08827115904e-15 ] [ 0.0 -1.12152363456e-15 -1.12152363456e-15 ] [ -2.4032649312e-15 3.2043532416e-16 4.96674752448e-15 ] ] } "relaxed-potential-energy" { "source-value" -7.9978218 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.281392310528457e-18 } }