{ "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" [ [ 1.26846 0.3454837 2.901552 ] [ 0.267977 2.35609 2.023372 ] [ 2.685563 0.3914351 1.602855 ] [ 2.683655 1.904541 0.876934 ] [ 1.547568 2.030572 0.3165864 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.26846e-10 3.454837e-11 2.901552e-10 ] [ 2.67977e-11 2.35609e-10 2.023372e-10 ] [ 2.685563e-10 3.914351e-11 1.602855e-10 ] [ 2.683655e-10 1.904541e-10 8.769340000000001e-11 ] [ 1.547568e-10 2.030572e-10 3.165864e-11 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -9.9238307 -3.7306113 10.9249921 ] [ -3.6816919 0.1098306 -1.7394827 ] [ 11.9118099 -29.7871308 10.7375452 ] [ 109.6063295 13.3634943 29.4052873 ] [ -107.9126168 20.0444172 -49.3283419 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.58997295363173e-08 -5.977098206152295e-09 1.75037669250447e-08 ] [ -5.898720687168731e-09 1.759680195684365e-10 -2.78695851422606e-09 ] [ 1.908482333319399e-08 -4.77242445684716e-08 1.720344388422326e-08 ] [ 1.756086986166014e-07 2.141067813965406e-08 4.711246383996716e-08 ] [ -1.728950717263093e-07 3.21146966154014e-08 -7.903271613500905e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 32.485346 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 5.20472618797988e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.0434938 0.3495022 3.084134 ] [ -0.1414958 2.0099991 1.9725162 ] [ 3.1228239 0.14853 2.0676982 ] [ 3.2229299 1.6848178 0.3278868 ] [ 1.2054712 2.8352726 0.2690642 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.0434938e-10 3.495022e-11 3.084134e-10 ] [ -1.414958e-11 2.0099991e-10 1.9725162e-10 ] [ 3.1228239e-10 1.4853e-11 2.0676982e-10 ] [ 3.2229299e-10 1.6848178e-10 3.278868e-11 ] [ 1.2054712e-10 2.8352726e-10 2.690642e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.1e-06 -2.3e-06 3.2e-06 ] [ -2.9e-06 2.7e-06 1.3e-06 ] [ 2.1e-06 -2.6e-06 -9e-07 ] [ 2.6e-06 2.4e-06 -1e-07 ] [ -7e-07 -2e-07 -3.5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.76239428288e-15 -3.68500622784e-15 5.126965186560001e-15 ] [ -4.646312200320001e-15 4.32587687616e-15 2.08282960704e-15 ] [ 3.36457090368e-15 -4.16565921408e-15 -1.44195895872e-15 ] [ 4.16565921408e-15 3.84522388992e-15 -1.6021766208e-16 ] [ -1.12152363456e-15 -3.2043532416e-16 -5.6076181728e-15 ] ] } "relaxed-potential-energy" { "source-value" -12.435516 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.992389300278433e-18 } }