{ "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" [ [ 0.9925273 0.3379082 1.803379 ] [ 1.204741 2.296652 0.0005587 ] [ 2.970089 0.0748089 0.2894365 ] [ 2.914059 2.502311 2.040612 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.925273e-11 3.379082e-11 1.803379e-10 ] [ 1.204741e-10 2.296652e-10 5.587e-14 ] [ 2.970089000000001e-10 7.48089e-12 2.894365e-11 ] [ 2.914059e-10 2.502311e-10 2.040612e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 2.0501426 1.9557098 -1.6311457 ] [ 1.8717081 -1.9475778 2.4912848 ] [ -1.8610221 2.2183756 1.3980061 ] [ -2.0608286 -2.2265076 -2.2581452 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.284690543026126e-09 3.133392518629444e-09 -2.613383505658451e-09 ] [ 2.998806958781989e-09 -3.120363618349098e-09 3.991478262314403e-09 ] [ -2.98168609941212e-09 3.554229522473172e-09 2.239852689155787e-09 ] [ -3.301811402395995e-09 -3.567258422753518e-09 -3.61794744581174e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -4.4513553 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -7.131857392534171e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.8547709 0.2051941 0.9844554 ] [ 0.9352956 2.4640377 0.8323765 ] [ 3.1054126 0.1418023 1.2346159 ] [ 3.1859371 2.4006461 1.0825384 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.547709e-11 2.051941e-11 9.844554e-11 ] [ 9.352956e-11 2.4640377e-10 8.323765e-11 ] [ 3.1054126e-10 1.418023e-11 1.2346159e-10 ] [ 3.1859371e-10 2.4006461e-10 1.0825384e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.1e-06 -2e-06 -4e-07 ] [ 7e-07 -7e-07 4e-07 ] [ -6e-07 9e-07 1e-07 ] [ 2.1e-06 1.8e-06 -2e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.36457090368e-15 -3.2043532416e-15 -6.408706483200001e-16 ] [ 1.12152363456e-15 -1.12152363456e-15 6.408706483200001e-16 ] [ -9.6130597248e-16 1.44195895872e-15 1.6021766208e-16 ] [ 3.36457090368e-15 2.88391791744e-15 -3.2043532416e-16 ] ] } "relaxed-potential-energy" { "source-value" -6.4872904 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.039378501122028e-18 } }