{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.420109 0.1444118 2.696301 ] [ 1.741529 2.490211 2.002098 ] [ 2.88298 4.123868 0.919121 ] [ 3.624829 1.629307 1.356835 ] [ 3.547112 2.169997 3.636924 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.420109e-10 1.444118e-11 2.696301e-10 ] [ 1.741529e-10 2.490211e-10 2.002098e-10 ] [ 2.88298e-10 4.123868e-10 9.19121e-11 ] [ 3.624829e-10 1.629307e-10 1.356835e-10 ] [ 3.547112e-10 2.169997e-10 3.636924e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.4157944 -3.232152 1.3130284 ] [ -7.5832674 2.1599858 1.6313692 ] [ 0.8662583 1.6895012 -1.4833742 ] [ 6.6976755 -1.413142 -5.8720881 ] [ 1.435128 0.7958071 4.4110648 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.268352687539564e-09 -5.178478369271962e-09 2.103703404926431e-09 ] [ -1.21497337375548e-08 3.460678750019984e-09 2.613741592133199e-09 ] [ 1.387898795833953e-09 2.706879323453545e-09 -2.376627463137904e-09 ] [ 1.073085909980495e-08 -2.264103074270553e-09 -9.408122269097892e-09 ] [ 2.299328529455462e-09 1.275023530286648e-09 7.067304895393828e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -7.4657283 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.196141533950493e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.2931055 0.441937 2.2065645 ] [ 1.3262494 2.7788546 2.595658 ] [ 2.7361997 3.4676437 0.7065084 ] [ 4.3383012 1.7237197 1.3571033 ] [ 3.5227032 2.1456399 3.7454448 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.2931055e-10 4.41937e-11 2.2065645e-10 ] [ 1.3262494e-10 2.7788546e-10 2.595658e-10 ] [ 2.7361997e-10 3.4676437e-10 7.065084e-11 ] [ 4.3383012e-10 1.7237197e-10 1.3571033e-10 ] [ 3.5227032e-10 2.1456399e-10 3.7454448e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.67e-05 -1.03e-05 7.5e-06 ] [ 1.03e-05 -1.15e-05 -1.14e-05 ] [ -1.7e-06 1.22e-05 1.3e-06 ] [ -4.2e-06 7.5e-06 1.77e-05 ] [ 1.24e-05 2.1e-06 -1.52e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.675634956736e-14 -1.650241919424e-14 1.2016324656e-14 ] [ 1.650241919424e-14 -1.84250311392e-14 -1.826481347712e-14 ] [ -2.72370025536e-15 1.954655477376e-14 2.08282960704e-15 ] [ -6.72914180736e-15 1.2016324656e-14 2.835852618816e-14 ] [ 1.986699009792e-14 3.36457090368e-15 -2.435308463616e-14 ] ] } "relaxed-potential-energy" { "source-value" -10.977047 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.758716806882278e-18 } }