{ "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" [ [ 2.719922 0.6324479 2.001085 ] [ 1.570016 2.535953 2.950979 ] [ 1.512501 2.471908 5.050939 ] [ 3.556391 2.380181 1.668166 ] [ 3.168972 1.023761 5.396195 ] [ 4.64835 1.331065 3.67677 ] [ 3.603196 3.529371 4.833641 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.719922e-10 6.324478999999999e-11 2.001085e-10 ] [ 1.570016e-10 2.535953e-10 2.950979e-10 ] [ 1.512501e-10 2.471908e-10 5.050939e-10 ] [ 3.556391e-10 2.380181e-10 1.668166e-10 ] [ 3.168972e-10 1.023761e-10 5.396195e-10 ] [ 4.64835e-10 1.331065e-10 3.67677e-10 ] [ 3.603196e-10 3.529371e-10 4.833641e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -17.7615218 -34.0551414 12.0468665 ] [ 7.592421 -3.0055752 -11.0184064 ] [ 3.7130617 0.6265751 8.731045 ] [ 16.8634382 37.1856496 -1.0710909 ] [ 1.2895489 4.3134468 -4.2577197 ] [ -7.9098164 3.3442376 -1.9978244 ] [ -3.7871315 -8.4091926 -2.4328701 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.845709497778953e-08 -5.456235136911818e-08 1.930120786019872e-08 ] [ 1.216439942147096e-08 -4.815462317496284e-09 -1.765343313255309e-08 ] [ 5.948980647327904e-09 1.003883976395422e-09 1.398867617415274e-08 ] [ 2.701820643034564e-08 5.957797841838087e-08 -1.716076798731631e-09 ] [ 2.066085098958357e-09 6.910903618024574e-09 -6.82161896125959e-09 ] [ -1.267292291090042e-08 5.358059297120303e-09 -3.200867546143788e-09 ] [ -6.067653549195236e-09 -1.347301178352437e-08 -3.897887595663359e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -28.742511 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.605057914728683e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.9377094 0.5869361 2.504504 ] [ 1.705383 2.2829309 3.1910055 ] [ 1.5863256 2.7538087 5.3482143 ] [ 3.577567 2.6607384 2.0871507 ] [ 2.8204129 1.0540848 4.6572542 ] [ 4.6904367 1.4342735 3.5505573 ] [ 3.4615134 3.1319146 4.2390889 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.9377094e-10 5.869361e-11 2.504504e-10 ] [ 1.705383e-10 2.2829309e-10 3.1910055e-10 ] [ 1.5863256e-10 2.7538087e-10 5.348214300000001e-10 ] [ 3.577567e-10 2.6607384e-10 2.0871507e-10 ] [ 2.8204129e-10 1.0540848e-10 4.6572542e-10 ] [ 4.690436700000001e-10 1.4342735e-10 3.5505573e-10 ] [ 3.4615134e-10 3.1319146e-10 4.2390889e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 6.94e-05 4.8e-05 8.95e-05 ] [ -1.31e-05 1.44e-05 -1.35e-05 ] [ -5.49e-05 2.1e-06 0.0001115 ] [ 4.36e-05 -1.12e-05 -2.38e-05 ] [ 3.8e-06 6.57e-05 -7.11e-05 ] [ -3.07e-05 -1.88e-05 -4.01e-05 ] [ -1.81e-05 -0.0001002 -5.25e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.1119105748352e-13 7.69044777984e-14 1.433948075616e-13 ] [ -2.098851373248e-14 2.307134333952e-14 -2.16293843808e-14 ] [ -8.795949648192e-14 3.36457090368e-15 1.786426932192e-13 ] [ 6.985490066688e-14 -1.794437815296e-14 -3.813180357504e-14 ] [ 6.08827115904e-15 1.0526300398656e-13 -1.1391475773888e-13 ] [ -4.918682225856e-14 -3.012092047104e-14 -6.424728249408e-14 ] [ -2.899939683648e-14 -1.6053809740416e-13 -8.4114272592e-14 ] ] } "relaxed-potential-energy" { "source-value" -50.517683 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.093825063958561e-18 } }