{ "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" [ [ 1.570546 2.153895 2.543093 ] [ 2.524346 2.661693 4.212043 ] [ 2.241813 4.238266 2.673997 ] [ 3.729345 1.325386 1.859362 ] [ 4.629957 2.667135 3.458757 ] [ 3.970969 3.734581 1.387215 ] [ 4.050613 4.976756 3.428708 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.570546e-10 2.153895e-10 2.543093e-10 ] [ 2.524346e-10 2.661693e-10 4.212043000000001e-10 ] [ 2.241813e-10 4.238266e-10 2.673997e-10 ] [ 3.729345e-10 1.325386e-10 1.859362e-10 ] [ 4.629957e-10 2.667135e-10 3.458757e-10 ] [ 3.970969e-10 3.734581e-10 1.387215e-10 ] [ 4.050613e-10 4.976756e-10 3.428708e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.4028747 -5.0340385 -8.2084689 ] [ 4.9163369 1.4191502 7.4932991 ] [ -8.7672627 3.2582581 -2.5017724 ] [ -1.5799285 1.3704343 0.3697899 ] [ 3.4367766 -0.7087631 1.4362611 ] [ 1.3690037 -0.9793591 0.0529428 ] [ 5.0279486 0.6743182 1.3579485 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.054182966769759e-09 -8.065418859356409e-09 -1.315141707249568e-08 ] [ 7.876840106051994e-09 2.273729290576427e-09 1.200558872959323e-08 ] [ -1.404670344207975e-08 5.220304995361235e-09 -4.008281282866101e-09 ] [ -2.531324526090669e-09 2.195677813892146e-09 5.924687372691966e-10 ] [ 5.506323164797964e-09 -1.135563677861405e-09 2.301143974743137e-09 ] [ 2.193385739999545e-09 -1.569106266315269e-09 8.482371709853519e-11 ] [ 8.055661763873012e-09 1.080376863920939e-09 2.175673356875349e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -27.416169 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.392554536559514e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.4979075 2.0285557 2.3608544 ] [ 2.5631308 2.6758463 4.2761474 ] [ 2.072223 4.280393 2.6998257 ] [ 3.6741439 1.406158 1.8876032 ] [ 4.7252229 2.699677 3.5008285 ] [ 3.9746176 3.684718 1.4548852 ] [ 4.2103434 4.982364 3.3830306 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.4979075e-10 2.0285557e-10 2.3608544e-10 ] [ 2.5631308e-10 2.6758463e-10 4.2761474e-10 ] [ 2.072223e-10 4.280393e-10 2.6998257e-10 ] [ 3.6741439e-10 1.406158e-10 1.8876032e-10 ] [ 4.7252229e-10 2.699677e-10 3.5008285e-10 ] [ 3.9746176e-10 3.684718e-10 1.4548852e-10 ] [ 4.2103434e-10 4.982364e-10 3.3830306e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.0507515 0.0048987 -0.1204934 ] [ 0.1979352 0.1730365 -0.1647908 ] [ -0.1132195 0.1210964 0.0274621 ] [ 0.0290883 0.0447402 0.1376283 ] [ 0.0471469 0.0013975 -0.0276811 ] [ -0.1403767 -0.101988 0.0701443 ] [ -0.0713258 -0.2431812 0.0777306 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.131286744045099e-11 7.8485826769758e-12 -1.930517100312156e-10 ] [ 3.171271524861168e-10 2.77235037129141e-10 -2.640239692581671e-10 ] [ -1.81397637413163e-10 1.940178225415176e-10 4.399913494057139e-11 ] [ 4.66045945827822e-11 7.16817030404868e-11 2.205048464371422e-10 ] [ 7.553766154553459e-11 2.239041846015e-12 -4.435001162341739e-11 ] [ -2.249082686980278e-10 -1.63402790548392e-10 1.123835584682862e-10 ] [ -1.142765301613572e-10 -3.896192364680807e-10 1.245381510668004e-10 ] ] } "relaxed-potential-energy" { "source-value" -30.20684 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.839669323497656e-18 } }