{ "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" [ [ 2.263215 2.218791 2.823685 ] [ 2.787552 3.729015 0.8142493 ] [ 2.212325 4.309555 3.289264 ] [ 3.882235 1.940561 0.9401229 ] [ 4.958804 1.525412 3.341241 ] [ 4.281489 4.073298 2.625609 ] [ 3.697667 3.229021 4.691712 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.263215e-10 2.218791e-10 2.823685e-10 ] [ 2.787552e-10 3.729015e-10 8.142493e-11 ] [ 2.212325e-10 4.309555e-10 3.289264e-10 ] [ 3.882235e-10 1.940561e-10 9.401229e-11 ] [ 4.958804e-10 1.525412e-10 3.341241e-10 ] [ 4.281489e-10 4.073298000000001e-10 2.625609e-10 ] [ 3.697667e-10 3.229021e-10 4.691712e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.8780586 -4.9073494 -0.0297717 ] [ -2.5220173 2.5831478 -1.6740899 ] [ -4.7917736 4.7017327 0.0396232 ] [ 3.1228472 -2.6207037 2.7376767 ] [ -2.7315002 2.2395922 -2.69932 ] [ 6.1977106 0.4543395 -2.228417 ] [ 1.6027921 -2.4507591 3.8542987 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.406804972202752e-09 -7.862440543553919e-09 -4.769952209445779e-11 ] [ -4.040717188603768e-09 4.138659047328505e-09 -2.682187720995396e-09 ] [ -7.677267697338062e-09 7.53300627125373e-09 6.348336520430878e-11 ] [ 5.003352815392324e-09 -4.198830232777345e-09 4.386241640186228e-09 ] [ -4.376345796206326e-09 3.588222292528655e-09 -4.32478743168888e-09 ] [ 9.92982710761412e-09 7.27932130803243e-10 -3.570317648208377e-09 ] [ 2.567956051779791e-09 -3.926548965582869e-09 6.175267317596575e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -22.46001 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.598490322140634e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.3158699 2.0084194 2.8161186 ] [ 2.5057742 3.7736261 0.9665453 ] [ 2.1815884 4.5302969 3.2577222 ] [ 4.1216723 1.9528976 0.9970807 ] [ 4.7961754 1.584291 3.3071335 ] [ 4.565074 3.9989055 2.4769962 ] [ 3.5971328 3.1772165 4.7042867 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.3158699e-10 2.0084194e-10 2.8161186e-10 ] [ 2.5057742e-10 3.7736261e-10 9.665453000000001e-11 ] [ 2.1815884e-10 4.5302969e-10 3.2577222e-10 ] [ 4.121672300000001e-10 1.9528976e-10 9.970807000000001e-11 ] [ 4.7961754e-10 1.584291e-10 3.3071335e-10 ] [ 4.565074e-10 3.9989055e-10 2.4769962e-10 ] [ 3.5971328e-10 3.1772165e-10 4.7042867e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -7.15e-05 1.63e-05 -5.07e-05 ] [ 9.3e-06 -1.23e-05 0.0001026 ] [ 3.22e-05 -3.73e-05 -2.37e-05 ] [ 4.02e-05 -3.9e-05 5.38e-05 ] [ -1.74e-05 2.09e-05 -3.58e-05 ] [ -6.7e-06 5.77e-05 -2.88e-05 ] [ 1.4e-05 -6.4e-06 -1.74e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.14555629331e-13 2.61154791342e-14 -8.123035534379999e-14 ] [ 1.49002426962e-14 -1.97067725982e-14 1.643833226484e-13 ] [ 5.159008761479998e-14 -5.97611884482e-14 -3.79715862258e-14 ] [ 6.44075006868e-14 -6.248488872599999e-14 8.619710290919999e-14 ] [ -2.78778734316e-14 3.34854916506e-14 -5.735792349719999e-14 ] [ -1.07345834478e-14 9.24455917818e-14 -4.614268705919999e-14 ] [ 2.243047287599999e-14 -1.02539304576e-14 -2.78778734316e-14 ] ] } "relaxed-potential-energy" { "source-value" -26.557231 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.254937497194045e-18 } }