{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 3.027282 5.632261 2.076972 ] [ 2.884751 3.592598 1.127951 ] [ 2.371812 3.264152 3.427474 ] [ 4.423647 2.751313 2.650154 ] [ 4.69656 4.49664 0.8853521 ] [ 4.67919 4.727196 3.249691 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.027282e-10 5.632261e-10 2.076972e-10 ] [ 2.884751e-10 3.592598e-10 1.127951e-10 ] [ 2.371812e-10 3.264152e-10 3.427474e-10 ] [ 4.423647e-10 2.751313e-10 2.650154e-10 ] [ 4.69656e-10 4.496640000000001e-10 8.853521e-11 ] [ 4.679190000000001e-10 4.727196000000001e-10 3.249691e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -5.4597394 10.0223158 1.1648872 ] [ -11.1988961 -6.2561728 -10.8749827 ] [ -6.7633327 -3.5561683 5.2298036 ] [ 5.0198656 -10.5475749 4.238741 ] [ 9.1775629 3.1151459 -10.7585287 ] [ 9.2245397 7.2224543 11.0000795 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.747466822340618e-09 1.605752006103445e-08 1.866355037709174e-09 ] [ -1.79426095101883e-08 -1.002349379584487e-08 -1.742364303354446e-08 ] [ -1.083605353063214e-08 -5.697609709890081e-09 8.379069059295675e-09 ] [ 8.042711303878165e-09 -1.68990779109169e-08 6.791211731826413e-09 ] [ 1.470407671430145e-08 4.991013931360975e-09 -1.723706315734582e-08 ] [ 1.477934184498144e-08 1.157164742425643e-08 1.762407020184136e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -1.4491841 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.321848884255089e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.8736759 5.5878985 3.2056187 ] [ 2.7516821 3.3680839 0.5758825 ] [ 2.2608837 3.3719973 2.7887771 ] [ 4.3942225 2.7956098 3.54782 ] [ 4.7461715 4.4508209 0.5487524 ] [ 5.0566062 4.8897495 2.7507435 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.8736759e-10 5.587898499999999e-10 3.2056187e-10 ] [ 2.7516821e-10 3.3680839e-10 5.758825e-11 ] [ 2.2608837e-10 3.3719973e-10 2.7887771e-10 ] [ 4.3942225e-10 2.7956098e-10 3.547820000000001e-10 ] [ 4.7461715e-10 4.4508209e-10 5.487524000000001e-11 ] [ 5.056606200000001e-10 4.889749499999999e-10 2.7507435e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.63e-05 1.13e-05 -1.06e-05 ] [ -9.6e-06 -2e-05 2.04e-05 ] [ 3e-07 -8e-06 -2.08e-05 ] [ -4.5e-06 1.3e-06 -1.08e-05 ] [ -4.7e-06 1.93e-05 2e-05 ] [ 2.2e-06 -3.8e-06 1.8e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.611547891904e-14 1.810459581504e-14 -1.698307218048e-14 ] [ -1.538089555968e-14 -3.2043532416e-14 3.268440306432e-14 ] [ 4.8065298624e-16 -1.28174129664e-14 -3.332527371264e-14 ] [ -7.2097947936e-15 2.08282960704e-15 -1.730350750464e-14 ] [ -7.53023011776e-15 3.092200878144e-14 3.2043532416e-14 ] [ 3.52478856576e-15 -6.08827115904e-15 2.88391791744e-15 ] ] } "relaxed-potential-energy" { "source-value" -11.433831 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.831901671437829e-18 } }