{ "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" [ [ -7.054182908651813e-09 -8.065418792907101e-09 -1.315141696414389e-08 ] [ 7.876840041156348e-09 2.273729271843644e-09 1.200558863068168e-08 ] [ -1.404670332635188e-08 5.220304952352229e-09 -4.008281249842706e-09 ] [ -2.531324505235613e-09 2.195677795802414e-09 5.9246873238797e-10 ] [ 5.506323119432513e-09 -1.135563668505732e-09 2.301143955784491e-09 ] [ 2.193385721928697e-09 -1.569106253387729e-09 8.482371639969024e-11 ] [ 8.055661697504091e-09 1.080376855019938e-09 2.175673338950429e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -27.416169 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.392554500370172e-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" [ [ 8.13128667705312e-11 7.84858261231296e-12 -1.930517084407027e-10 ] [ 3.171271498733721e-10 2.772350348450592e-10 -2.640239670829286e-10 ] [ -1.813976359186656e-10 1.940178209430451e-10 4.399913457807168e-11 ] [ 4.660459419881665e-11 7.168170244991617e-11 2.205048446204487e-10 ] [ 7.553766092319552e-11 2.239041827568e-12 -4.435001125802688e-11 ] [ -2.249082668450554e-10 -1.634027892021504e-10 1.123835575423814e-10 ] [ -1.142765292198566e-10 -3.896192332580889e-10 1.245381500407565e-10 ] ] } "relaxed-potential-energy" { "source-value" -30.20684 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.839669283624627e-18 } }