{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.2519361 0.630526 0.2961672 ] [ 1.040527 1.338339 0.9480581 ] [ 1.471162 2.964903 0.310665 ] [ 0.0960364 2.590998 1.829013 ] [ 2.039261 0.0625187 0.2196196 ] [ 2.19391 1.549757 2.906446 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.519361e-11 6.30526e-11 2.961672e-11 ] [ 1.040527e-10 1.338339e-10 9.480581e-11 ] [ 1.471162e-10 2.964903e-10 3.10665e-11 ] [ 9.60364e-12 2.590998e-10 1.829013e-10 ] [ 2.039261e-10 6.25187e-12 2.196196e-11 ] [ 2.19391e-10 1.549757e-10 2.906446e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -65.0936621 -53.8457052 -45.7794987 ] [ 46.8035646 32.1956897 42.973223 ] [ 9.5384191 28.152229 -14.3988897 ] [ -16.1726601 15.546343 15.5357463 ] [ 19.5294619 -19.9347333 -8.3632263 ] [ 5.3948766 -2.1138232 10.0326454 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.04291543578875e-07 -8.6270330001929e-08 -7.334684252908399e-08 ] [ 7.49875769722225e-08 5.158318132787137e-08 6.885069321102484e-08 ] [ 1.528223208141218e-08 4.510484312720776e-08 -2.306956444281793e-08 ] [ -2.591145790836499e-08 2.490798729353774e-08 2.48910095085401e-08 ] [ 3.128964727298435e-08 -3.193896363514323e-08 -1.339936565231969e-08 ] [ 8.643545160620993e-09 -3.386718111544642e-09 1.607406990465667e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 40.522189 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 6.492370383943893e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.3303489 0.1287206 0.2152793 ] [ 0.9724725 2.0314166 1.4018595 ] [ 2.028751 3.5283436 -0.0417578 ] [ -0.9139209 3.0438438 2.3276436 ] [ 2.2304462 -1.020006 -0.4993 ] [ 2.4447348 1.424723 3.1062444 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.303489e-11 1.287206e-11 2.152793e-11 ] [ 9.724725e-11 2.0314166e-10 1.4018595e-10 ] [ 2.028751e-10 3.5283436e-10 -4.17578e-12 ] [ -9.139209000000001e-11 3.0438438e-10 2.3276436e-10 ] [ 2.2304462e-10 -1.020006e-10 -4.993e-11 ] [ 2.4447348e-10 1.424723e-10 3.1062444e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.1e-06 -6e-06 -1.56e-05 ] [ 3.3e-06 -2.09e-05 4.7e-06 ] [ 1.23e-05 1.16e-05 -5.7e-06 ] [ 1.21e-05 -1.47e-05 6.2e-06 ] [ -1.52e-05 3.3e-06 2.1e-06 ] [ -1.03e-05 2.67e-05 8.4e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.36457090368e-15 -9.6130597248e-15 -2.499395528448e-14 ] [ 5.28718284864e-15 -3.348549137472e-14 7.53023011776e-15 ] [ 1.970677243584e-14 1.858524880128e-14 -9.13240673856e-15 ] [ 1.938633711168e-14 -2.355199632576e-14 9.93349504896e-15 ] [ -2.435308463616e-14 5.28718284864e-15 3.36457090368e-15 ] [ -1.650241919424e-14 4.277811577536e-14 1.345828361472e-14 ] ] } "relaxed-potential-energy" { "source-value" -7.4831 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.198924787110848e-18 } }