{ "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" [ [ 0.4523459 0.4778673 0.765296 ] [ 0.8876723 1.989638 2.471047 ] [ 2.135329 1.164008 0.2412907 ] [ 2.495776 0.5844002 2.912252 ] [ 2.604983 2.71818 1.724062 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.523459e-11 4.778673e-11 7.65296e-11 ] [ 8.876723e-11 1.989638e-10 2.471047e-10 ] [ 2.135329e-10 1.164008e-10 2.412907e-11 ] [ 2.495776e-10 5.844002e-11 2.912252e-10 ] [ 2.604983e-10 2.71818e-10 1.724062e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.6091135 -1.1319373 0.8200265 ] [ -4.1988055 0.1256515 1.5913259 ] [ 2.7021673 -0.1584557 -2.4923628 ] [ 1.0770665 -1.0172766 0.3148116 ] [ 3.0286851 2.1820182 -0.2338012 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.18026065071366e-09 -1.813563478271476e-09 1.313827286736451e-09 ] [ -6.727228007386454e-09 2.013158956684512e-10 2.549585153053518e-09 ] [ 4.32934927355026e-09 -2.538740179724986e-10 -3.993205408711626e-09 ] [ 1.725650765346883e-09 -1.629856785406913e-09 5.043837854766413e-10 ] [ 4.85248845898531e-09 3.495978546200098e-09 -3.745908165549849e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -12.352787 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.979134653312217e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.4372196 0.4127385 1.0464584 ] [ 0.5818969 2.1274924 2.6626186 ] [ 2.5085998 1.0920673 0.1402575 ] [ 2.39516 0.4949142 2.5082494 ] [ 2.6532299 2.8068811 1.7563639 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.372196e-11 4.127385e-11 1.0464584e-10 ] [ 5.818969000000001e-11 2.1274924e-10 2.6626186e-10 ] [ 2.5085998e-10 1.0920673e-10 1.402575e-11 ] [ 2.39516e-10 4.949142000000001e-11 2.5082494e-10 ] [ 2.6532299e-10 2.8068811e-10 1.7563639e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -5.2e-06 -1.97e-05 1.17e-05 ] [ 1.4e-06 -1e-07 2.1e-06 ] [ 1.16e-05 9.6e-06 -6.27e-05 ] [ -2.07e-05 1.2e-05 3.06e-05 ] [ 1.29e-05 -1.8e-06 1.82e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.33131842816e-15 -3.156287942976e-14 1.874546646336e-14 ] [ 2.24304726912e-15 -1.6021766208e-16 3.36457090368e-15 ] [ 1.858524880128e-14 1.538089555968e-14 -1.0045647412416e-13 ] [ -3.316505605055999e-14 1.92261194496e-14 4.902660459647999e-14 ] [ 2.066807840832e-14 -2.88391791744e-15 2.915961449856e-14 ] ] } "relaxed-potential-energy" { "source-value" -14.50509 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.323971608059987e-18 } }