{ "relaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 2.4429833e-10 5.6697019e-10 3.0408323e-10 ] [ 6.1856238e-10 2.7855883e-10 9.457029e-11 ] [ 2.9154759e-10 2.6144313e-10 2.3169699e-10 ] [ 5.513181600000001e-10 2.4595972e-10 3.7002123e-10 ] [ 4.1217204e-10 4.750434e-10 7.86829e-11 ] [ 5.499849600000001e-10 5.3264524e-10 3.3312006e-10 ] [ 3.3297054e-10 3.8531049e-10 5.1244081e-10 ] ] "source-value" [ [ 2.4429833 5.6697019 3.0408323 ] [ 6.1856238 2.7855883 0.9457029 ] [ 2.9154759 2.6144313 2.3169699 ] [ 5.5131816 2.4595972 3.7002123 ] [ 4.1217204 4.750434 0.786829 ] [ 5.4998496 5.3264524 3.3312006 ] [ 3.3297054 3.8531049 5.1244081 ] ] } "relaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ 2.7621524942592e-13 6.04212847236096e-12 1.4011034548896e-12 ] [ 2.931983216064e-13 1.39405387775808e-12 7.639178127974401e-13 ] [ 2.6932588995648e-13 -1.28590695585408e-12 4.591838195212799e-13 ] [ 4.83873361247808e-12 -8.888875892198401e-13 1.0478235100032e-13 ] [ -8.525181799276799e-13 -1.40494867877952e-12 -2.1917776172544e-12 ] [ -3.846505631216639e-12 -4.341898642368001e-12 8.778325705363201e-13 ] [ -9.7844926232256e-13 4.854595161024e-13 -1.41504239149056e-12 ] ] "source-value" [ [ 0.0001724 0.0037712 0.0008745 ] [ 0.000183 0.0008701 0.0004768 ] [ 0.0001681 -0.0008026 0.0002866 ] [ 0.0030201 -0.0005548 6.54e-05 ] [ -0.0005321 -0.0008769 -0.001368 ] [ -0.0024008 -0.00271 0.0005479 ] [ -0.0006107 0.000303 -0.0008832 ] ] } "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" "Si" "Si" ] } "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "relaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" -2.955656336942292e-18 "source-value" -18.447756 } "unrelaxed-configuration-forces" { "si-unit" "kg m / s^2" "source-unit" "eV/angstrom" "si-value" [ [ -1.354278819355859e-07 2.043785556140609e-07 -7.25445043607021e-08 ] [ 1.770865567457753e-08 -4.418957249557322e-09 -1.838478686575044e-08 ] [ 1.353670551399596e-08 -8.725514278935405e-08 1.372141183689777e-07 ] [ -3.630103320051411e-09 -9.717143526793653e-10 5.627245797710772e-09 ] [ 2.298325182368453e-08 2.09353587993847e-08 -6.905631591766767e-08 ] [ 1.154383705075555e-07 1.925687483201288e-08 -7.444598583908102e-10 ] [ -3.060899842439377e-08 -1.519249746936501e-07 1.788870299604019e-08 ] ] "source-value" [ [ -84.5274361 127.563062 -45.2787186 ] [ 11.0528736 -2.7580962 -11.4748815 ] [ 8.4489471 -54.460377 85.6423172 ] [ -2.2657323 -0.6064964 3.5122506 ] [ 14.3450176 13.0668233 -43.1015626 ] [ 72.0509643 12.019196 -0.4646553 ] [ -19.1046343 -94.8241116 11.1652503 ] ] } "unrelaxed-potential-energy" { "si-unit" "kg m^2 / s^2" "source-unit" "eV" "si-value" 5.689951465860318e-18 "source-value" 35.513884 } "unrelaxed-configuration-positions" { "si-unit" "m" "source-unit" "angstrom" "si-value" [ [ 2.930378e-10 5.180054e-10 2.851976e-10 ] [ 5.738994e-10 3.052967000000001e-10 1.218676e-10 ] [ 3.217774e-10 2.94037e-10 2.40806e-10 ] [ 5.439965e-10 2.572298e-10 3.526756e-10 ] [ 4.050256e-10 4.656384e-10 1.057411e-10 ] [ 5.133306e-10 4.977378e-10 3.451883e-10 ] [ 3.497867e-10 4.079859e-10 4.731393e-10 ] ] "source-value" [ [ 2.930378 5.180054 2.851976 ] [ 5.738994 3.052967 1.218676 ] [ 3.217774 2.94037 2.40806 ] [ 5.439965 2.572298 3.526756 ] [ 4.050256 4.656384 1.057411 ] [ 5.133306 4.977378 3.451883 ] [ 3.497867 4.079859 4.731393 ] ] } "instance-id" 1 }