{ "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" [ [ -11.2954588 -3.1763129 11.758467 ] [ -3.9013697 0.75984 3.9154441 ] [ 8.3327234 -29.4165332 6.2809335 ] [ 118.3850332 20.0220922 37.2701157 ] [ -111.5209281 11.810914 -59.2249602 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.809732001056962e-08 -5.089014268725448e-09 1.883914092384832e-08 ] [ -6.250683322437511e-09 1.217397883548672e-09 6.273232997069297e-09 ] [ 1.335049461907309e-08 -4.713048175802701e-08 1.006316481049952e-08 ] [ 1.896737324456718e-07 3.207892802234204e-08 5.971330802905103e-08 ] [ -1.786762237317378e-07 1.892317028107941e-08 -9.48888466002505e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 30.45703 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 4.879754140500423e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.0670775 0.3837126 3.048977 ] [ -0.0065117 2.1315511 2.0567976 ] [ 3.0083348 0.0636478 1.9005643 ] [ 3.2547696 1.8961879 0.5806441 ] [ 1.1295528 2.5530224 0.1343164 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.0670775e-10 3.837126e-11 3.048977e-10 ] [ -6.511699999999999e-13 2.1315511e-10 2.0567976e-10 ] [ 3.0083348e-10 6.36478e-12 1.9005643e-10 ] [ 3.2547696e-10 1.8961879e-10 5.806441e-11 ] [ 1.1295528e-10 2.5530224e-10 1.343164e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 5.62e-05 -3.37e-05 -5.9e-06 ] [ -1.1e-05 5.59e-05 -3.7e-05 ] [ -6.4e-06 2.62e-05 -1.89e-05 ] [ 1.43e-05 -4.64e-05 6.15e-05 ] [ -5.31e-05 -2.1e-06 3e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 9.004232608896e-14 -5.399335212096e-14 -9.45284206272e-15 ] [ -1.76239428288e-14 8.956167310272e-14 -5.92805349696e-14 ] [ -1.025393037312e-14 4.197702746496e-14 -3.028113813312e-14 ] [ 2.291112567744e-14 -7.434099520512001e-14 9.853386217920001e-14 ] [ -8.507557856448001e-14 -3.36457090368e-15 4.8065298624e-16 ] ] } "relaxed-potential-energy" { "source-value" -14.385327 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.3047834601963e-18 } }