{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.6660422 0.1321237 2.521111 ] [ 1.154832 2.450071 0.6217319 ] [ 0.2052378 1.707228 1.69737 ] [ 2.767871 1.123615 2.427941 ] [ 1.781428 1.004966 1.555643 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.660422e-11 1.321237e-11 2.521111e-10 ] [ 1.154832e-10 2.450071e-10 6.217319e-11 ] [ 2.052378e-11 1.707228e-10 1.69737e-10 ] [ 2.767871e-10 1.123615e-10 2.427941e-10 ] [ 1.781428e-10 1.004966e-10 1.555643e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -20.5497333 -37.5905584 27.8192435 ] [ 8.7608753 39.5332729 -39.7663215 ] [ -57.5453582 15.0957954 12.873503 ] [ 86.3399881 7.1636744 66.4400678 ] [ -17.0057718 -24.2021842 -67.3664928 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.292430225693524e-08 -6.022671383129705e-08 4.457134154404237e-08 ] [ 1.403646958340419e-08 6.333928558408622e-08 -6.371267060251638e-08 ] [ -9.219782754360159e-08 2.418613046226018e-08 2.062562553439866e-08 ] [ 1.383319103739702e-07 1.147747164270347e-08 1.064487233135269e-07 ] [ -2.724624999661994e-08 -3.877617369753515e-08 -1.079330197894515e-07 ] ] } "unrelaxed-potential-energy" { "source-value" 56.761626 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 9.094215013579343e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.5863481 0.5779041 3.4891069 ] [ 0.8647588 2.3499163 0.1330057 ] [ -0.592669 1.8671112 1.9145896 ] [ 2.7724576 0.2639663 2.6806472 ] [ 2.9445155 1.3591058 0.6064475 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 5.863481e-11 5.779041000000001e-11 3.4891069e-10 ] [ 8.647588000000001e-11 2.3499163e-10 1.330057e-11 ] [ -5.92669e-11 1.8671112e-10 1.9145896e-10 ] [ 2.7724576e-10 2.639663e-11 2.6806472e-10 ] [ 2.9445155e-10 1.3591058e-10 6.064475e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -5.3e-06 2e-07 5.2e-06 ] [ 2.5e-06 1.4e-06 -4.6e-06 ] [ 2.8e-06 -3.6e-06 3.5e-06 ] [ -1e-06 3e-07 -2.4e-06 ] [ 9e-07 1.7e-06 -1.7e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.491536090240001e-15 3.2043532416e-16 8.33131842816e-15 ] [ 4.005441552e-15 2.24304726912e-15 -7.370012455680001e-15 ] [ 4.48609453824e-15 -5.76783583488e-15 5.6076181728e-15 ] [ -1.6021766208e-15 4.8065298624e-16 -3.84522388992e-15 ] [ 1.44195895872e-15 2.72370025536e-15 -2.72370025536e-15 ] ] } "relaxed-potential-energy" { "source-value" -10.837104 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.736295466597816e-18 } }