{ "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" [ [ 2.04098 2.133134 3.812884 ] [ 2.161605 4.797503 2.926814 ] [ 2.748178 3.149118 1.513672 ] [ 4.833213 2.247647 2.725743 ] [ 4.087134 1.710162 4.852625 ] [ 4.720686 4.556589 2.507622 ] [ 3.429181 3.830938 4.469304 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.04098e-10 2.133134e-10 3.812884e-10 ] [ 2.161605e-10 4.797503e-10 2.926814e-10 ] [ 2.748178e-10 3.149118e-10 1.513672e-10 ] [ 4.833213e-10 2.247647e-10 2.725743e-10 ] [ 4.087134e-10 1.710162e-10 4.852625e-10 ] [ 4.720686e-10 4.556589e-10 2.507622e-10 ] [ 3.429181e-10 3.830938e-10 4.469304000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.1558169 -0.5912337 -1.1178934 ] [ -0.8951453 1.6587134 -0.5254038 ] [ 0.4085132 -1.8924676 0.0280378 ] [ 1.698396 -0.9758121 -2.3473268 ] [ 0.6899788 -1.6191728 0.7151881 ] [ -0.3009965 0.4444977 0.0840498 ] [ 0.5550707 2.9754751 3.1633483 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.453999464362314e-09 -9.472608193733656e-10 -1.791062684782816e-09 ] [ -1.43418088369492e-09 2.657551851982695e-09 -8.417896917748091e-10 ] [ 6.545103037205687e-10 -3.032067369322058e-09 4.49215080287652e-11 ] [ 2.721130386479064e-09 -1.563423345794471e-09 -3.760832151321991e-09 ] [ 1.105467911315359e-09 -2.594200826568355e-09 1.145857662734855e-09 ] [ -4.822495592157809e-10 7.121638288067418e-10 1.346626256523732e-10 ] [ 8.893213057580238e-10 4.767236680268813e-09 5.068242731463622e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -18.316886005765543 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.934688676607914e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.8652683 2.1080733 3.9725528 ] [ 2.4853894 4.868208 2.5532165 ] [ 2.585538 2.6633152 1.838101 ] [ 4.8727448 2.3712984 2.2695238 ] [ 4.2093941 1.8395402 4.4429964 ] [ 4.8239758 4.5750212 3.0363367 ] [ 3.1786667 3.9996349 4.6959368 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.8652683e-10 2.1080733e-10 3.9725528e-10 ] [ 2.4853894e-10 4.868208e-10 2.5532165e-10 ] [ 2.585538e-10 2.6633152e-10 1.838101e-10 ] [ 4.8727448e-10 2.3712984e-10 2.2695238e-10 ] [ 4.2093941e-10 1.8395402e-10 4.442996400000001e-10 ] [ 4.823975800000001e-10 4.5750212e-10 3.0363367e-10 ] [ 3.1786667e-10 3.9996349e-10 4.6959368e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -8.1e-06 -3.8e-06 1.35e-05 ] [ -7.4e-06 6e-06 -2.8e-06 ] [ 5.6e-06 4.6e-06 -4e-06 ] [ 3.1e-06 -1.17e-05 3.9e-06 ] [ 5.1e-06 3.2e-06 -1.11e-05 ] [ 8.3e-06 5.1e-06 7e-07 ] [ -6.7e-06 -3.5e-06 -0.0 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.29776307354e-14 -6.088271209199999e-15 2.162938455899999e-14 ] [ -1.18561070916e-14 9.613059803999999e-15 -4.486094575199999e-15 ] [ 8.972189150399999e-15 7.370012516399999e-15 -6.408706535999999e-15 ] [ 4.9667475654e-15 -1.87454666178e-14 6.248488872599999e-15 ] [ 8.1711008334e-15 5.1269652288e-15 -1.77841606374e-14 ] [ 1.32980660622e-14 8.1711008334e-15 1.1215236438e-15 ] [ -1.07345834478e-14 -5.607618218999999e-15 0.0 ] ] } "relaxed-potential-energy" { "source-value" -20.807805005765545 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.333777898506579e-18 } }