{ "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" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.625679 2.727046 1.588106 ] [ 1.116882 2.069952 3.236218 ] [ 3.070568 3.395161 4.858531 ] [ 1.593326 4.342716 3.66284 ] [ 4.916804 2.207526 1.823276 ] [ 3.525085 1.533636 3.413768 ] [ 3.625469 4.392152 2.422621 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.625679e-10 2.727046e-10 1.588106e-10 ] [ 1.116882e-10 2.069952e-10 3.236218e-10 ] [ 3.070568e-10 3.395161e-10 4.858531e-10 ] [ 1.593326e-10 4.342716e-10 3.66284e-10 ] [ 4.916804e-10 2.207526e-10 1.823276e-10 ] [ 3.525085e-10 1.533636e-10 3.413768e-10 ] [ 3.625469e-10 4.392152e-10 2.422621e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.0520061 -1.7827097 -11.1757221 ] [ -6.6440102 -3.3427173 -0.5673595 ] [ 4.1757104 0.181759 7.401944 ] [ -5.5150657 5.4953155 2.4619593 ] [ 6.2997286 -1.7949895 -2.2031024 ] [ 2.4643644 -8.9305718 6.6423743 ] [ 3.2712786 10.173914 -2.5600936 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.492029440758986e-09 -2.856215803013382e-09 -1.790548066917788e-08 ] [ -1.064487781079673e-08 -5.3556235080037e-09 -9.090101264887776e-10 ] [ 6.690225578111416e-09 2.912100204199873e-10 1.185922162527084e-08 ] [ -8.836109326715987e-09 8.804466018019864e-09 3.944493631821134e-09 ] [ 1.009327788030511e-08 -2.875890211481482e-09 -3.52975915850837e-09 ] [ 3.948347026811819e-09 -1.430835334833577e-08 1.064225681006277e-08 ] [ 5.241166093043355e-09 1.630040715282981e-08 -4.101722112979707e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -3.4909057 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.593047497957459e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.3438526 2.590253 0.7687437 ] [ 1.3583987 2.1182643 2.9004296 ] [ 3.3069121 3.2134757 5.4342302 ] [ 1.9058907 4.3199989 3.8430891 ] [ 4.6477058 2.3889982 2.0996469 ] [ 3.4701837 1.3754696 3.9130253 ] [ 3.4408694 4.6617292 2.0461953 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.3438526e-10 2.590253e-10 7.687437e-11 ] [ 1.3583987e-10 2.1182643e-10 2.9004296e-10 ] [ 3.3069121e-10 3.2134757e-10 5.4342302e-10 ] [ 1.9058907e-10 4.3199989e-10 3.8430891e-10 ] [ 4.6477058e-10 2.3889982e-10 2.0996469e-10 ] [ 3.4701837e-10 1.3754696e-10 3.9130253e-10 ] [ 3.4408694e-10 4.6617292e-10 2.0461953e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.1e-06 4.4e-05 2.9e-06 ] [ 4.41e-05 1.12e-05 2.79e-05 ] [ -9.4e-06 -7.8e-06 5.9e-06 ] [ 2.64e-05 -4.22e-05 -3.57e-05 ] [ 2.83e-05 6.2e-06 -3.57e-05 ] [ -5.42e-05 9.2e-06 4.23e-05 ] [ -3.73e-05 -2.07e-05 -7.6e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.36457090368e-15 7.04957713152e-14 4.646312200320001e-15 ] [ 7.065598897728e-14 1.794437815296e-14 4.470072772032e-14 ] [ -1.506046023552e-14 -1.249697764224e-14 9.45284206272e-15 ] [ 4.229746278912e-14 -6.761185339776e-14 -5.719770536256001e-14 ] [ 4.534159836864e-14 9.93349504896e-15 -5.719770536256001e-14 ] [ -8.683797284736e-14 1.474002491136e-14 6.777207105984e-14 ] [ -5.976118795584e-14 -3.316505605055999e-14 -1.217654231808e-14 ] ] } "relaxed-potential-energy" { "source-value" -11.819793 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.89373960072955e-18 } }