{ "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" [ [ 1.248143 2.607252 2.065498 ] [ 1.369551 0.7649094 4.123488 ] [ 1.757865 4.314259 0.9683886 ] [ 3.278515 2.86873 1.593912 ] [ 3.883205 5.101974 1.552288 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.248143e-10 2.607252e-10 2.065498e-10 ] [ 1.369551e-10 7.649094e-11 4.123488e-10 ] [ 1.757865e-10 4.314259e-10 9.683886000000001e-11 ] [ 3.278515e-10 2.86873e-10 1.593912e-10 ] [ 3.883205e-10 5.101974000000001e-10 1.552288e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -11.7264141 -10.390134 8.0770422 ] [ 0.0078309 0.9379163 -0.7385121 ] [ -11.946408 15.0286654 -10.3720205 ] [ 16.7927575 -13.3096193 1.555215 ] [ 6.8722338 7.7331716 1.4782754 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.878778651683947e-08 -1.664682978177919e-08 1.2940848178055e-08 ] [ 1.254648489982272e-11 1.502707568127239e-09 -1.183226820797912e-09 ] [ -1.914025560013809e-08 2.407857634570588e-08 -1.661780875555832e-08 ] [ 2.690496346526386e-08 -2.132436087420846e-08 2.491729113317472e-09 ] [ 1.101053232703154e-08 1.238990674215453e-08 2.368458284983769e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 4.863285 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 7.791841527287329e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.6263174 2.1499502 1.7687697 ] [ 0.9978897 1.510308 3.9427899 ] [ 1.2369242 4.539293 1.4808828 ] [ 4.0327775 2.5340771 1.6990697 ] [ 3.6433702 4.9234961 1.4120624 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.6263174e-10 2.1499502e-10 1.7687697e-10 ] [ 9.978897e-11 1.510308e-10 3.942789900000001e-10 ] [ 1.2369242e-10 4.539293e-10 1.4808828e-10 ] [ 4.0327775e-10 2.5340771e-10 1.6990697e-10 ] [ 3.6433702e-10 4.923496100000001e-10 1.4120624e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.62e-05 -9.7e-06 3.72e-05 ] [ 1e-06 -1.32e-05 -1.47e-05 ] [ -2.05e-05 1.07e-05 -1.48e-05 ] [ 2.23e-05 -1.2e-05 -3.3e-06 ] [ 2.34e-05 2.41e-05 -4.4e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.197702746496e-14 -1.554111322176e-14 5.960097029376001e-14 ] [ 1.6021766208e-15 -2.114873139456e-14 -2.355199632576e-14 ] [ -3.28446207264e-14 1.714328984256e-14 -2.371221398784e-14 ] [ 3.572853864384e-14 -1.92261194496e-14 -5.28718284864e-15 ] [ 3.749093292672001e-14 3.861245656128e-14 -7.04957713152e-15 ] ] } "relaxed-potential-energy" { "source-value" -10.419499 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.669387769824898e-18 } }