{ "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" [ [ 2.819728 1.352428 1.364201 ] [ 2.130711 2.142985 3.535598 ] [ 2.900765 3.536828 2.247591 ] [ 4.867849 2.542824 1.805581 ] [ 4.180951 2.552465 4.619841 ] [ 3.604443 0.2919785 5.062878 ] [ 4.799237 0.5958561 3.34882 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.819728e-10 1.352428e-10 1.364201e-10 ] [ 2.130711e-10 2.142985e-10 3.535598e-10 ] [ 2.900765e-10 3.536828e-10 2.247591e-10 ] [ 4.867849e-10 2.542824e-10 1.805581e-10 ] [ 4.180951e-10 2.552465e-10 4.619841e-10 ] [ 3.604443e-10 2.919785e-11 5.062878e-10 ] [ 4.799237e-10 5.958561e-11 3.34882e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.513748 -3.8111127 -2.380768 ] [ -3.9253112 -5.6671353 6.709291 ] [ 0.1054649 9.3863353 -4.1035421 ] [ 3.6954787 -0.9865974 -0.4719237 ] [ 1.1907794 2.6979468 2.2675902 ] [ -4.5679324 -1.3809409 4.196377 ] [ 4.0152687 -0.2384958 -6.2170243 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.231150413642319e-10 -6.106075717480651e-09 -3.814410860574912e-09 ] [ -6.2890418858185e-09 -9.079751759376579e-09 1.074946927090649e-08 ] [ 1.689733984871466e-10 1.503856709654938e-08 -6.574599269255291e-09 ] [ 5.920809624584695e-09 -1.580703301445151e-09 -7.561051251708257e-10 ] [ 1.907838930928539e-09 4.322587322735071e-09 3.633080033927386e-09 ] [ -7.318634556971541e-09 -2.21251124291493e-09 6.723337176855017e-09 ] [ 6.433169690371555e-09 -3.821123980671372e-10 -9.960771066470206e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -11.711032 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.876314183042629e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.9201464 1.0789293 1.7138477 ] [ 2.1072271 2.2726304 3.8694317 ] [ 2.757768 3.6747867 1.8585217 ] [ 4.9945868 2.612104 1.3507391 ] [ 4.3227741 2.3802528 5.1690683 ] [ 3.166743 0.1147182 4.8179882 ] [ 5.0344385 0.8819433 3.2049133 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.9201464e-10 1.0789293e-10 1.7138477e-10 ] [ 2.1072271e-10 2.2726304e-10 3.8694317e-10 ] [ 2.757768e-10 3.6747867e-10 1.8585217e-10 ] [ 4.994586800000001e-10 2.612104e-10 1.3507391e-10 ] [ 4.3227741e-10 2.3802528e-10 5.169068300000001e-10 ] [ 3.166743e-10 1.147182e-11 4.8179882e-10 ] [ 5.034438500000001e-10 8.819433e-11 3.2049133e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 7.1e-06 -2.8e-06 6.8e-06 ] [ -2.06e-05 2.66e-05 8.8e-06 ] [ -2.8e-06 -6.2e-06 2.6e-06 ] [ -1.8e-06 -1.09e-05 -2.6e-06 ] [ 6.9e-06 -4.7e-06 -8.3e-06 ] [ -1.1e-06 -1.45e-05 -1.85e-05 ] [ 1.23e-05 1.26e-05 1.13e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.13754541014e-14 -4.486094575199999e-15 1.08948011112e-14 ] [ -3.300483866039999e-14 4.26178984644e-14 1.40991543792e-14 ] [ -4.486094575199999e-15 -9.9334951308e-15 4.165659248399999e-15 ] [ -2.8839179412e-15 -1.74637253106e-14 -4.165659248399999e-15 ] [ 1.10550187746e-14 -7.530230179799999e-15 -1.32980660622e-14 ] [ -1.7623942974e-15 -2.3231561193e-14 -2.9640267729e-14 ] [ 1.97067725982e-14 2.01874255884e-14 1.81045959642e-14 ] ] } "relaxed-potential-energy" { "source-value" -16.094034 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.578548522160156e-18 } }