{ "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" [ [ 2.428537 1.662164 2.065612 ] [ 2.677805 2.654077 4.303636 ] [ 2.380622 3.799595 2.643621 ] [ 4.65403 2.78928 1.862185 ] [ 4.978196 2.955414 4.623231 ] [ 4.975087 5.409268 1.773954 ] [ 3.793479 4.953224 3.972917 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.428537e-10 1.662164e-10 2.065612e-10 ] [ 2.677805e-10 2.654077e-10 4.303636e-10 ] [ 2.380622e-10 3.799595e-10 2.643621e-10 ] [ 4.65403e-10 2.78928e-10 1.862185e-10 ] [ 4.978196e-10 2.955414e-10 4.623231e-10 ] [ 4.975087000000001e-10 5.409268e-10 1.773954e-10 ] [ 3.793479e-10 4.953223999999999e-10 3.972917e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.7510449 -2.5228702 -1.3266414 ] [ 0.2165872 -5.2662179 6.9745796 ] [ -2.892787 5.9840632 -5.9110326 ] [ 0.5223229 1.0529564 0.6945053 ] [ -0.3494856 0.129725 -1.5216034 ] [ -0.7936376 -1.9893571 1.4591012 ] [ 2.5459551 2.6117006 -0.3689087 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.203306579951074e-09 -4.04208365175302e-09 -2.125513835265381e-09 ] [ 3.470109482045338e-10 -8.437411199418472e-09 1.117450837502862e-08 ] [ -4.63475570035417e-09 9.587526156429633e-09 -9.47051823650664e-09 ] [ 8.368535388884564e-10 1.687022126801733e-09 1.11272015468169e-09 ] [ -5.599376576262605e-10 2.0784236213328e-10 -2.437877393609791e-09 ] [ -1.271547608107822e-09 -3.187301436042488e-09 2.337737830021225e-09 ] [ 4.079069738826527e-09 4.184405641849332e-09 -5.910568943497209e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -18.219856 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.919142731754261e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.7573248 2.1426674 1.9550517 ] [ 2.6233858 2.1127845 4.4016712 ] [ 1.8567073 4.0787281 3.155853 ] [ 5.0111043 2.656925 2.0435947 ] [ 4.7101213 3.1055217 4.3661439 ] [ 5.0971086 4.9347649 1.7071298 ] [ 3.832004 5.1916305 3.6157118 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.7573248e-10 2.1426674e-10 1.9550517e-10 ] [ 2.6233858e-10 2.1127845e-10 4.4016712e-10 ] [ 1.8567073e-10 4.0787281e-10 3.155853e-10 ] [ 5.011104300000001e-10 2.656925e-10 2.0435947e-10 ] [ 4.7101213e-10 3.1055217e-10 4.3661439e-10 ] [ 5.097108600000001e-10 4.9347649e-10 1.7071298e-10 ] [ 3.832004e-10 5.191630499999999e-10 3.6157118e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -7.7e-06 2.39e-05 -1.27e-05 ] [ 2.72e-05 1.74e-05 -1.37e-05 ] [ 4.9e-06 -1.57e-05 -9e-06 ] [ -1.84e-05 -2.3e-05 6.5e-06 ] [ -2.5e-06 2.82e-05 2.18e-05 ] [ 5.2e-06 2.2e-06 -2.04e-05 ] [ -8.8e-06 -3.3e-05 2.75e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.233675998016e-14 3.829202123712e-14 -2.034764308416e-14 ] [ 4.357920408576e-14 2.787787320192e-14 -2.194981970496e-14 ] [ 7.850665441919999e-15 -2.515417294656e-14 -1.44195895872e-14 ] [ -2.948004982272e-14 -3.68500622784e-14 1.04141480352e-14 ] [ -4.005441552e-15 4.518138070656001e-14 3.492745033344e-14 ] [ 8.33131842816e-15 3.52478856576e-15 -3.268440306432e-14 ] [ -1.409915426304e-14 -5.28718284864e-14 4.4059857072e-14 ] ] } "relaxed-potential-energy" { "source-value" -22.541842 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.611601224216751e-18 } }