{ "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" [ [ 1.891577 1.147444 4.176951 ] [ 1.947528 5.315412 2.001915 ] [ 3.037668 3.274696 0.9821769 ] [ 1.344392 3.383525 2.90788 ] [ 3.679276 1.837825 2.704146 ] [ 4.016034 4.351153 3.141989 ] [ 3.129852 3.103182 4.716137 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.891577e-10 1.147444e-10 4.176951e-10 ] [ 1.947528e-10 5.315412000000001e-10 2.001915e-10 ] [ 3.037668e-10 3.274696e-10 9.821769000000001e-11 ] [ 1.344392e-10 3.383525e-10 2.90788e-10 ] [ 3.679276000000001e-10 1.837825e-10 2.704146e-10 ] [ 4.016034e-10 4.351153e-10 3.141989e-10 ] [ 3.129852e-10 3.103182e-10 4.716137e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.2733651 0.5161892 -0.4565369 ] [ 1.1275632 0.3919526 -0.3744537 ] [ -0.2953604 0.3745706 -0.0271322 ] [ -1.574725 -1.1650273 0.6326725 ] [ 0.4607118 -0.826693 -0.0886188 ] [ 0.65448 1.3684638 -1.1813832 ] [ -0.6460347 -0.6594559 1.4954523 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.379791757710734e-10 8.270262749631528e-10 -7.314527537387946e-10 ] [ 1.806555412398269e-09 6.279772973555484e-10 -5.999409686548457e-10 ] [ -4.732195314888936e-10 6.001282631033603e-10 -4.34705768690148e-11 ] [ -2.52298759997565e-09 -1.866579518032108e-09 1.013653096474365e-09 ] [ 7.381416809680811e-10 -1.324508208091362e-09 -1.419829706931192e-10 ] [ 1.04859256342032e-09 2.192520724834849e-09 -1.892784558840149e-09 ] [ -1.0350617010932e-09 -1.05656483413344e-09 2.395978732321558e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -21.072935 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.376256406680079e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.340611 1.4541324 3.7607229 ] [ 2.5320058 4.9921183 2.1597185 ] [ 2.3283644 2.9432717 1.0394508 ] [ 0.9831732 3.331535 3.026078 ] [ 4.0564761 2.0635336 2.3183705 ] [ 4.2614455 4.1256554 3.4458839 ] [ 2.5442511 3.5029905 4.8809704 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.340611e-10 1.4541324e-10 3.7607229e-10 ] [ 2.5320058e-10 4.9921183e-10 2.1597185e-10 ] [ 2.3283644e-10 2.9432717e-10 1.0394508e-10 ] [ 9.831732000000001e-11 3.331535e-10 3.026078e-10 ] [ 4.0564761e-10 2.0635336e-10 2.3183705e-10 ] [ 4.2614455e-10 4.1256554e-10 3.4458839e-10 ] [ 2.5442511e-10 3.5029905e-10 4.8809704e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4e-07 3.6e-06 6e-07 ] [ -1.4e-06 -4.6e-06 4e-07 ] [ 6e-07 -2e-07 -1.8e-06 ] [ -8e-07 2.6e-06 -6e-07 ] [ 1.2e-06 5e-07 -2.3e-06 ] [ -4e-07 -7e-07 1.3e-06 ] [ 4e-07 -1.1e-06 2.5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.408706536e-16 5.767835882399999e-15 9.613059803999998e-16 ] [ -2.2430472876e-15 -7.370012516399999e-15 6.408706536e-16 ] [ 9.613059803999998e-16 -3.204353268e-16 -2.8839179412e-15 ] [ -1.2817413072e-15 4.165659248399999e-15 -9.613059803999998e-16 ] [ 1.9226119608e-15 8.010883169999999e-16 -3.685006258199999e-15 ] [ -6.408706536e-16 -1.1215236438e-15 2.0828296242e-15 ] [ 6.408706536e-16 -1.7623942974e-15 4.005441585e-15 ] ] } "relaxed-potential-energy" { "source-value" -22.96247 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.678993289292598e-18 } }