{ "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" [ [ 2.638378 0.8784031 3.89936 ] [ 3.076863 3.046669 3.275657 ] [ 5.153788 2.352253 2.384418 ] [ 4.273122 0.1786437 2.239865 ] [ 4.529593 1.652308 4.599133 ] [ 5.775659 4.557099 1.971672 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.638378e-10 8.784031e-11 3.89936e-10 ] [ 3.076863e-10 3.046669e-10 3.275657e-10 ] [ 5.153788e-10 2.352253e-10 2.384418e-10 ] [ 4.273122e-10 1.786437e-11 2.239865e-10 ] [ 4.529593e-10 1.652308e-10 4.599133e-10 ] [ 5.775659e-10 4.557099e-10 1.971672e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.9702431 -2.6724099 -1.4406857 ] [ -0.7015879 1.6233381 -0.3402944 ] [ 0.5648425 -0.0824942 -0.4030434 ] [ -0.688417 -0.7020036 -0.5004889 ] [ 3.6654645 1.606179 2.7302361 ] [ 0.1299409 0.2273905 -0.0457237 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.758854052912516e-09 -4.281672662974466e-09 -2.308232946460883e-09 ] [ -1.124067730816168e-09 2.600874351473892e-09 -5.452117318691636e-10 ] [ 9.049774479342241e-10 -1.321702785915994e-10 -6.457467126477428e-10 ] [ -1.102965622761273e-09 -1.124733755637435e-09 -8.018716145499092e-10 ] [ 5.872721526272362e-09 2.573382442619924e-09 4.374320448684171e-09 ] [ 2.081882720657107e-10 3.643197428920224e-10 -7.325744315647297e-11 ] ] } "unrelaxed-potential-energy" { "source-value" -15.322747 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.454974700983334e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.8047469 0.6003439 3.7755771 ] [ 2.8408165 2.993196 3.504931 ] [ 5.0505151 2.4762831 2.6499444 ] [ 4.215758 0.3953379 1.9048215 ] [ 4.481389 1.8913186 4.9372254 ] [ 6.0541775 4.3088964 1.5976057 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.8047469e-10 6.003439000000001e-11 3.7755771e-10 ] [ 2.8408165e-10 2.993196e-10 3.504931e-10 ] [ 5.0505151e-10 2.4762831e-10 2.6499444e-10 ] [ 4.215758e-10 3.953379e-11 1.9048215e-10 ] [ 4.481389e-10 1.8913186e-10 4.9372254e-10 ] [ 6.0541775e-10 4.3088964e-10 1.5976057e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.89e-05 1.06e-05 -6e-06 ] [ 5e-06 -2.36e-05 3.21e-05 ] [ -7.49e-05 -3.05e-05 3.02e-05 ] [ 2.25e-05 2.77e-05 8.8e-06 ] [ -1.82e-05 2.9e-06 -3.06e-05 ] [ 4.67e-05 1.3e-05 -3.45e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.028113813312e-14 1.698307218048e-14 -9.6130597248e-15 ] [ 8.010883104e-15 -3.781136825088e-14 5.142986952768e-14 ] [ -1.2000302889792e-13 -4.88663869344e-14 4.838573394816e-14 ] [ 3.604897396800001e-14 4.438029239616e-14 1.409915426304e-14 ] [ -2.915961449856e-14 4.646312200320001e-15 -4.902660459647999e-14 ] [ 7.482164819136e-14 2.08282960704e-14 -5.52750934176e-14 ] ] } "relaxed-potential-energy" { "source-value" -16.26464 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.605882595372851e-18 } }