{ "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" [ [ 2.669584 2.17361 1.86928 ] [ 2.40373 2.157546 4.053208 ] [ 2.652376 4.1548 1.079323 ] [ 1.859138 4.715654 3.12876 ] [ 4.632592 2.488435 2.820091 ] [ 5.239324 3.537857 1.028061 ] [ 3.752209 4.156911 4.495978 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.669584e-10 2.17361e-10 1.86928e-10 ] [ 2.40373e-10 2.157546e-10 4.053208e-10 ] [ 2.652376e-10 4.1548e-10 1.079323e-10 ] [ 1.859138e-10 4.715654e-10 3.12876e-10 ] [ 4.632592e-10 2.488435e-10 2.820091e-10 ] [ 5.239324e-10 3.537857e-10 1.028061e-10 ] [ 3.752209000000001e-10 4.156911e-10 4.495978e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.8377252 -4.5087003 -3.7377172 ] [ -2.1336237 -1.6278756 4.6468033 ] [ 4.7889012 1.9881878 -2.8272467 ] [ -0.1431134 1.8299681 0.5916306 ] [ 4.0175162 -0.0816983 3.892637 ] [ -4.0874621 2.8764322 -2.3687945 ] [ 0.395507 -0.4763139 -0.1973125 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.546537009152977e-09 -7.22373427036879e-09 -5.988483162339904e-09 ] [ -3.418442037888625e-09 -2.60814424937873e-09 7.444999670054092e-09 ] [ 7.67266560517456e-09 3.185428037163865e-09 -4.529748601293607e-09 ] [ -2.292929454922956e-10 2.931932130785375e-09 9.478967232794004e-10 ] [ 6.43677058235647e-09 -1.308951072975222e-10 6.236692046043857e-09 ] [ -6.548836268980571e-09 4.608552460125215e-09 -3.795227198647713e-09 ] [ 6.336720739834379e-10 -7.631390010294125e-10 -3.16129477096125e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -14.093322 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.257999120383815e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.7221371 1.7973658 2.116793 ] [ 1.9246207 1.8821688 4.3719776 ] [ 2.6988317 3.9840717 1.0286068 ] [ 2.4077041 5.2838897 2.9851044 ] [ 4.9249516 2.7094384 2.7746448 ] [ 5.0804736 3.9987818 0.7640514 ] [ 3.4502342 3.729097 4.433523 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.7221371e-10 1.7973658e-10 2.116793e-10 ] [ 1.9246207e-10 1.8821688e-10 4.371977600000001e-10 ] [ 2.6988317e-10 3.9840717e-10 1.0286068e-10 ] [ 2.4077041e-10 5.283889699999999e-10 2.9851044e-10 ] [ 4.924951600000001e-10 2.7094384e-10 2.7746448e-10 ] [ 5.0804736e-10 3.9987818e-10 7.640514000000001e-11 ] [ 3.4502342e-10 3.729097e-10 4.433523e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2e-06 -1.1e-06 6.8e-06 ] [ -1.22e-05 1.66e-05 -4.9e-06 ] [ 5.5e-06 -2.2e-06 6.7e-06 ] [ -1.28e-05 -1.4e-05 1e-05 ] [ 5.8e-06 1.37e-05 -1.14e-05 ] [ 9.7e-06 -4.5e-06 -6.2e-06 ] [ 6.1e-06 -8.5e-06 -1e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.204353268e-15 -1.7623942974e-15 1.08948011112e-14 ] [ -1.95465549348e-14 2.65961321244e-14 -7.850665506599998e-15 ] [ 8.811971486999999e-15 -3.5247885948e-15 1.07345834478e-14 ] [ -2.05078609152e-14 -2.243047287599999e-14 1.602176634e-14 ] [ 9.2926244772e-15 2.19498198858e-14 -1.82648136276e-14 ] [ 1.55411133498e-14 -7.209794853e-15 -9.9334951308e-15 ] [ 9.773277467399999e-15 -1.3618501389e-14 -1.602176634e-15 ] ] } "relaxed-potential-energy" { "source-value" -18.197073 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.915492516779228e-18 } }