{ "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" [ [ 2.007741 0.810981 1.851579 ] [ 2.28758 2.972606 1.775704 ] [ 2.775609 2.277586 3.884458 ] [ 3.461309 1.568578 0.4572952 ] [ 4.556331 2.173826 2.191246 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.007741e-10 8.10981e-11 1.851579e-10 ] [ 2.28758e-10 2.972606e-10 1.775704e-10 ] [ 2.775609000000001e-10 2.277586e-10 3.884458e-10 ] [ 3.461309e-10 1.568578e-10 4.572952e-11 ] [ 4.556331e-10 2.173826e-10 2.191246e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 3.9695828 -3.1522714 2.69534 ] [ -7.4177505 11.1167584 -0.731921 ] [ -0.3279008 0.0831896 6.2196786 ] [ 4.1128862 -3.1753072 -9.4350536 ] [ -0.3368178 -4.8723695 1.2519561 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.359972756489803e-09 -5.050495539496485e-09 4.318410733107072e-09 ] [ -1.188454643002751e-08 1.781101040756202e-08 -1.172666714472557e-09 ] [ -5.253549957016166e-10 1.332844322137037e-10 9.965023641810075e-09 ] [ 6.589570113650953e-09 -5.087402959697911e-09 -1.511662229391487e-08 ] [ -5.396416046292902e-10 -7.806396500798985e-09 2.005854793687947e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -10.362078 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.660187911450602e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.2751532 0.6715582 2.1030123 ] [ 2.2981361 3.2161711 1.6793756 ] [ 2.6213433 2.3000207 4.0486261 ] [ 3.4140842 1.6214111 0.0154867 ] [ 4.4798533 1.994416 2.3137815 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.2751532e-10 6.715582000000001e-11 2.1030123e-10 ] [ 2.2981361e-10 3.2161711e-10 1.6793756e-10 ] [ 2.6213433e-10 2.3000207e-10 4.0486261e-10 ] [ 3.4140842e-10 1.6214111e-10 1.54867e-12 ] [ 4.479853300000001e-10 1.994416e-10 2.3137815e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 6.1e-05 4.62e-05 1.03e-05 ] [ -2.83e-05 3.52e-05 1.23e-05 ] [ 6.4e-06 -2.26e-05 -4.77e-05 ] [ 1.23e-05 -1.75e-05 4.8e-05 ] [ -5.13e-05 -4.13e-05 -2.29e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.773277386880001e-14 7.402055988096e-14 1.650241919424e-14 ] [ -4.534159836864e-14 5.639661705216e-14 1.970677243584e-14 ] [ 1.025393037312e-14 -3.620919163008e-14 -7.642382481215999e-14 ] [ 1.970677243584e-14 -2.8038090864e-14 7.69044777984e-14 ] [ -8.219166064704e-14 -6.616989443904001e-14 -3.668984461632e-14 ] ] } "relaxed-potential-energy" { "source-value" -16.118168 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.58241519397267e-18 } }