{ "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" [ [ 1.492003 2.387549 2.170669 ] [ 2.788135 3.420279 0.7006935 ] [ 2.516882 3.82705 3.771673 ] [ 3.610971 1.743132 2.445693 ] [ 4.42605 4.234183 2.406002 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.492003e-10 2.387549e-10 2.170669e-10 ] [ 2.788135e-10 3.420279e-10 7.006935e-11 ] [ 2.516882e-10 3.82705e-10 3.771673e-10 ] [ 3.610971e-10 1.743132e-10 2.445693e-10 ] [ 4.42605e-10 4.234183e-10 2.406002e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.2636736 -0.4273414 1.1446599 ] [ 1.9647726 0.9889857 -1.1158158 ] [ 0.1932197 -0.6890276 0.0205378 ] [ 2.3773534 0.829246 0.5138663 ] [ -0.2716721 -0.7018628 -0.5632481 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.831158216922661e-09 -6.846764058208475e-10 1.833947345656776e-09 ] [ 3.147912750843428e-09 1.584529779900134e-09 -1.787734002608017e-09 ] [ 3.095720885684898e-10 -1.103943920901098e-09 3.290518327376519e-11 ] [ 3.808940068240455e-09 1.328598565037964e-09 8.23304578860034e-10 ] [ -4.352666907297114e-10 -1.124508178433815e-09 -9.024229449648953e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -13.5837 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.17634867432658e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.3089746 2.5654506 2.1748537 ] [ 2.9745001 3.2636765 0.551359 ] [ 2.6103453 3.5902289 3.950666 ] [ 3.6643612 1.9043653 2.4906847 ] [ 4.2758598 4.2884717 2.3271671 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.3089746e-10 2.5654506e-10 2.1748537e-10 ] [ 2.9745001e-10 3.2636765e-10 5.513590000000001e-11 ] [ 2.6103453e-10 3.5902289e-10 3.950666e-10 ] [ 3.6643612e-10 1.9043653e-10 2.4906847e-10 ] [ 4.275859800000001e-10 4.2884717e-10 2.3271671e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.73e-05 2.3e-06 1.98e-05 ] [ 4e-06 1.01e-05 1.1e-06 ] [ -9.7e-06 -1.53e-05 -2.32e-05 ] [ -8.6e-06 1.99e-05 8.7e-06 ] [ -3e-06 -1.7e-05 -6.5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.77176557682e-14 3.685006258199999e-15 3.17230973532e-14 ] [ 6.408706535999999e-15 1.61819840034e-14 1.7623942974e-15 ] [ -1.55411133498e-14 -2.45133025002e-14 -3.71704979088e-14 ] [ -1.37787190524e-14 3.18833150166e-14 1.39389367158e-14 ] [ -4.806529901999999e-15 -2.723700277799999e-14 -1.0414148121e-14 ] ] } "relaxed-potential-energy" { "source-value" -14.391586 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.305786281540152e-18 } }