{ "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" [ [ 0.3288529 1.174724 0.8712814 ] [ 1.395659 1.176494 2.521247 ] [ 2.395391 0.4245255 0.3168768 ] [ 2.017962 2.536207 0.5333854 ] [ 2.744316 1.992854 1.84914 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.288529e-11 1.174724e-10 8.712814e-11 ] [ 1.395659e-10 1.176494e-10 2.521247e-10 ] [ 2.395391e-10 4.245255e-11 3.168768e-11 ] [ 2.017962e-10 2.536207e-10 5.333854e-11 ] [ 2.744316e-10 1.992854e-10 1.84914e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -12.4205554 -1.5443294 -1.7085757 ] [ -21.8891177 -14.6601545 17.6568223 ] [ 6.3157669 -10.4185402 -5.4014955 ] [ -17.1351559 25.224183 -38.6908302 ] [ 45.1290621 1.3988411 28.1440791 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.989992364318252e-08 -2.474288479879239e-09 -2.737440063960193e-09 ] [ -3.507023291781582e-08 -2.348815699072995e-08 2.828934811975014e-08 ] [ 1.011897415297061e-08 -1.669234166882969e-08 -8.654149878756146e-09 ] [ -2.745354640292724e-08 4.041359661434002e-08 -6.198954409650154e-08 ] [ 7.230472881095496e-08 2.241190525098857e-09 4.509178591946775e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 5.7537934 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 9.218593342343415e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.3535311 1.1111485 0.6313081 ] [ 1.0758672 1.1209088 3.1189965 ] [ 2.601017 -0.0783861 0.1370729 ] [ 1.6524265 3.3403502 0.3990942 ] [ 3.1993392 1.8107831 1.8054589 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.535311e-11 1.1111485e-10 6.313081000000001e-11 ] [ 1.0758672e-10 1.1209088e-10 3.1189965e-10 ] [ 2.601017e-10 -7.838610000000001e-12 1.370729e-11 ] [ 1.6524265e-10 3.3403502e-10 3.990942e-11 ] [ 3.1993392e-10 1.8107831e-10 1.8054589e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 5.41e-05 1.23e-05 3.3e-05 ] [ -8.6e-06 -1.8e-06 -8.1e-06 ] [ -6e-07 1.11e-05 3.3e-06 ] [ -8.3e-06 3.6e-06 -1.08e-05 ] [ -3.65e-05 -2.52e-05 -1.74e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.66777558994e-14 1.97067725982e-14 5.287182892199999e-14 ] [ -1.37787190524e-14 -2.8839179412e-15 -1.29776307354e-14 ] [ -9.613059803999998e-16 1.77841606374e-14 5.2871828922e-15 ] [ -1.32980660622e-14 5.767835882399999e-15 -1.73035076472e-14 ] [ -5.847944714099999e-14 -4.037485117679999e-14 -2.78778734316e-14 ] ] } "relaxed-potential-energy" { "source-value" -12.025254 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.926658097671503e-18 } }