{ "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" [ [ 2.512586 2.352376 3.000619 ] [ 5.747731 2.138199 1.702882 ] [ 4.441387 1.564453 3.266826 ] [ 5.259627 4.180433 2.034508 ] [ 3.39507 3.451757 1.390248 ] [ 4.402652 3.245897 4.59308 ] [ 3.137856 4.41534 3.36482 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.512586e-10 2.352376e-10 3.000619e-10 ] [ 5.747731e-10 2.138199e-10 1.702882e-10 ] [ 4.441387e-10 1.564453e-10 3.266826e-10 ] [ 5.259627e-10 4.180433e-10 2.034508e-10 ] [ 3.39507e-10 3.451757e-10 1.390248e-10 ] [ 4.402652e-10 3.245897e-10 4.59308e-10 ] [ 3.137856000000001e-10 4.41534e-10 3.36482e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -23.8994763 -17.6243471 5.1212544 ] [ 11.8442489 -11.1699254 -10.4531533 ] [ 5.4856467 -20.5493448 5.8583816 ] [ 12.8162951 19.8545533 5.2809634 ] [ -8.8915097 -0.5856351 -30.0128868 ] [ 10.7281094 2.0932963 17.02105 ] [ -8.0833142 27.9814027 7.1843907 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.829118249269677e-08 -2.823731711312566e-08 8.205154136449688e-09 ] [ 1.89765788348602e-08 -1.78961934794031e-08 -1.674779796887999e-08 ] [ 8.788974965119209e-09 -3.29236800825694e-08 9.386162112575535e-09 ] [ 2.053396854366869e-08 3.181050137576759e-08 8.461036164489195e-09 ] [ -1.424576908232435e-08 -9.382908732702532e-10 -4.808594594984703e-08 ] [ 1.718832620767576e-08 3.353830419898654e-09 2.72707285961457e-08 ] [ -1.29508971365204e-08 4.483114959248451e-08 1.15106629090669e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -0.96440889 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.545153389179876e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.2728469 2.1969791 2.7625771 ] [ 6.105363 2.0981847 1.9342314 ] [ 4.4471193 1.244117 3.573703 ] [ 5.215699 4.4062627 1.6187771 ] [ 2.8462854 3.7769561 0.8134637 ] [ 4.624296 3.1398067 5.1990813 ] [ 3.3852993 4.4861488 3.4511494 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.2728469e-10 2.1969791e-10 2.7625771e-10 ] [ 6.105363e-10 2.0981847e-10 1.9342314e-10 ] [ 4.4471193e-10 1.244117e-10 3.573703e-10 ] [ 5.215699e-10 4.4062627e-10 1.6187771e-10 ] [ 2.8462854e-10 3.7769561e-10 8.134637000000001e-11 ] [ 4.624296000000001e-10 3.1398067e-10 5.1990813e-10 ] [ 3.3852993e-10 4.4861488e-10 3.4511494e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.3e-06 2.73e-05 -6.7e-06 ] [ 5.17e-05 3.6e-06 1.2e-06 ] [ 8.2e-06 1.98e-05 1.48e-05 ] [ -7.1e-06 -4.22e-05 -1.52e-05 ] [ -2.15e-05 3.18e-05 5.49e-05 ] [ -1.45e-05 -2.3e-05 -3.4e-06 ] [ -2.01e-05 -1.74e-05 -4.56e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.2871828922e-15 4.37394221082e-14 -1.07345834478e-14 ] [ 8.28325319778e-14 5.767835882399999e-15 1.9226119608e-15 ] [ 1.31378483988e-14 3.17230973532e-14 2.37122141832e-14 ] [ -1.13754541014e-14 -6.761185395480001e-14 -2.43530848368e-14 ] [ -3.4446797631e-14 5.09492169612e-14 8.795949720659999e-14 ] [ -2.3231561193e-14 -3.6850062582e-14 -5.4474005556e-15 ] [ -3.22037503434e-14 -2.78778734316e-14 -7.30592545104e-14 ] ] } "relaxed-potential-energy" { "source-value" -23.29495 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.73226245801983e-18 } }