{ "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" [ [ 2.668149 2.195644 2.177876 ] [ 2.423331 4.799117 4.063095 ] [ 0.9419081 3.216694 3.792355 ] [ 4.815194 2.852634 0.7483411 ] [ 3.230766 2.566095 4.274755 ] [ 3.707939 4.705402 1.628358 ] [ 5.171828 3.316404 3.099703 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.668149e-10 2.195644e-10 2.177876e-10 ] [ 2.423331e-10 4.799117e-10 4.063095e-10 ] [ 9.419081e-11 3.216694e-10 3.792355e-10 ] [ 4.815194e-10 2.852634e-10 7.483411e-11 ] [ 3.230766e-10 2.566095e-10 4.274755e-10 ] [ 3.707939e-10 4.705402000000001e-10 1.628358e-10 ] [ 5.171828e-10 3.316404e-10 3.099703e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.8224353 -4.0701674 -12.5860883 ] [ 8.6913764 14.7345633 0.9994608 ] [ -17.4560147 -7.496485 -1.3892738 ] [ 3.1397788 -6.7852123 -6.6269748 ] [ 8.7336422 -4.3219998 12.7504559 ] [ -6.1086606 8.2214172 1.6566164 ] [ 4.8223134 -0.2821159 5.195804 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.919863230580634e-09 -6.521127051022323e-09 -2.016513642158441e-08 ] [ 1.392512007065287e-08 2.36073728369577e-08 1.601312727166065e-09 ] [ -2.796761864468113e-08 -1.201069300517789e-08 -2.225862002249975e-09 ] [ 5.030480187843479e-09 -1.08711085142246e-08 -1.061758409119076e-08 ] [ 1.399283734727228e-08 -6.924607034662277e-09 2.042848234752143e-08 ] [ -9.787153197722101e-09 1.3172162427683e-08 2.654192065713861e-09 ] [ 7.726197787650558e-09 -4.519994993359507e-10 8.324595695059123e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -15.94899 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.555309890337299e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.4029832 2.281905 1.8055766 ] [ 2.4887572 4.9992926 4.1412262 ] [ 0.775859 3.100961 3.728966 ] [ 4.8649668 2.5073963 0.8539599 ] [ 3.4229254 2.5083446 4.2859827 ] [ 3.5211323 4.730123 1.8141798 ] [ 5.4824911 3.5239674 3.1545919 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.4029832e-10 2.281905e-10 1.8055766e-10 ] [ 2.4887572e-10 4.999292600000001e-10 4.141226200000001e-10 ] [ 7.75859e-11 3.100961e-10 3.728966e-10 ] [ 4.8649668e-10 2.5073963e-10 8.539599000000001e-11 ] [ 3.4229254e-10 2.5083446e-10 4.2859827e-10 ] [ 3.5211323e-10 4.730123e-10 1.8141798e-10 ] [ 5.4824911e-10 3.5239674e-10 3.1545919e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.28e-05 4.28e-05 2.08e-05 ] [ 8.6e-06 -0.0001249 -1.19e-05 ] [ 9.4e-05 3.1e-05 -1.88e-05 ] [ -3.47e-05 5.06e-05 0.0001441 ] [ -5.69e-05 2.92e-05 -3.57e-05 ] [ 3.02e-05 -6.44e-05 -1.2e-05 ] [ -1.84e-05 3.56e-05 -8.65e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.652962695424e-14 6.857315937023999e-14 3.332527371264e-14 ] [ 1.377871893888e-14 -2.0011185993792e-13 -1.906590178752e-14 ] [ 1.506046023552e-13 4.96674752448e-14 -3.012092047104e-14 ] [ -5.559552874176001e-14 8.107013701248e-14 2.3087365105728e-13 ] [ -9.116384972352e-14 4.678355732736e-14 -5.719770536256001e-14 ] [ 4.838573394816e-14 -1.0318017437952e-13 -1.92261194496e-14 ] [ -2.948004982272e-14 5.703748770048e-14 -1.385882776992e-13 ] ] } "relaxed-potential-energy" { "source-value" -23.43444 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.754611188954035e-18 } }