{ "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" [ [ 0.4711414 1.535718 0.6051258 ] [ 0.1383881 2.176586 2.72717 ] [ 2.449817 0.7251628 0.0780297 ] [ 1.858809 0.1214998 2.575793 ] [ 2.444403 2.05802 2.37174 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.711414e-11 1.535718e-10 6.051258000000001e-11 ] [ 1.383881e-11 2.176586e-10 2.72717e-10 ] [ 2.449817e-10 7.251628e-11 7.80297e-12 ] [ 1.858809e-10 1.214998e-11 2.575793e-10 ] [ 2.444403e-10 2.05802e-10 2.37174e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.9485962 1.0293683 -4.0266231 ] [ -2.6042558 1.234127 2.1753145 ] [ 1.9868078 -0.9273054 -1.2931457 ] [ -1.4187865 -11.5013301 2.9353539 ] [ 5.9848307 10.1651401 0.2091004 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.32634856874119e-09 1.649229838040302e-09 -6.451361444744646e-09 ] [ -4.172477791718977e-09 1.977289442788518e-09 3.485238063501392e-09 ] [ 3.183217033408945e-09 -1.485707044462023e-09 -2.071847824897574e-09 ] [ -2.27314657893464e-09 -1.842716234614088e-08 4.702955431100772e-09 ] [ 9.588755905985862e-09 1.628634994955642e-08 3.350157750400535e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -7.1587482 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.146957909472956e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.0179485 1.6918679 0.136413 ] [ 0.3278883 1.8985992 2.5066791 ] [ 2.2416123 0.8433257 0.4401329 ] [ 1.9074493 -0.1066695 2.8046079 ] [ 2.8676601 2.2898633 2.4700256 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.79485e-12 1.6918679e-10 1.36413e-11 ] [ 3.278883e-11 1.8985992e-10 2.5066791e-10 ] [ 2.2416123e-10 8.433257e-11 4.401329e-11 ] [ 1.9074493e-10 -1.066695e-11 2.8046079e-10 ] [ 2.8676601e-10 2.2898633e-10 2.4700256e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.69e-05 7.1e-06 -3.6e-06 ] [ -2.4e-06 -2.5e-06 -6.7e-06 ] [ 6.2e-06 -1.23e-05 1.78e-05 ] [ 7.2e-06 9.1e-06 -1.34e-05 ] [ 5.9e-06 -1.4e-06 6e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.70767851146e-14 1.13754541014e-14 -5.767835882399999e-15 ] [ -3.845223921599999e-15 -4.005441585e-15 -1.07345834478e-14 ] [ 9.9334951308e-15 -1.97067725982e-14 2.851874408519999e-14 ] [ 1.15356717648e-14 1.45798073694e-14 -2.14691668956e-14 ] [ 9.452842140600001e-15 -2.2430472876e-15 9.613059803999999e-15 ] ] } "relaxed-potential-energy" { "source-value" -10.750145 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.722363113111193e-18 } }