{ "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" [ [ 0.7446066 0.1944515 0.1494579 ] [ 0.9752316 0.2958523 2.14555 ] [ 1.483774 1.800686 1.444998 ] [ 2.76885 0.9073334 0.4143235 ] [ 2.782831 0.444621 2.68949 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.446066e-11 1.944515e-11 1.494579e-11 ] [ 9.752316e-11 2.958523e-11 2.14555e-10 ] [ 1.483774e-10 1.800686e-10 1.444998e-10 ] [ 2.76885e-10 9.073334e-11 4.143235000000001e-11 ] [ 2.782831e-10 4.44621e-11 2.68949e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -19.6268826 -19.8994505 -25.5691045 ] [ -25.4287362 -14.8514009 26.4746878 ] [ -8.058649 42.4958489 1.1338516 ] [ 30.9933182 6.7527864 -29.4384266 ] [ 22.1209496 -14.4977839 27.3989917 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.144573244090631e-08 -3.188243435786687e-08 -4.096622144469208e-08 ] [ -4.074132663613064e-08 -2.379456730810808e-08 4.241712583613899e-08 ] [ -1.29113790230333e-08 6.80858555886294e-08 1.816630524976673e-09 ] [ 4.965676982105514e-08 1.08191564953362e-08 -4.716555885165683e-08 ] [ 3.544166827901512e-08 -2.322801041799064e-08 4.389802393523325e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 12.729265 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.039453078296771e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.8618495 -0.4189291 -0.0635621 ] [ 0.7786157 0.4182088 2.221171 ] [ 1.26918 2.7030356 1.5380807 ] [ 2.7234818 1.0390633 0.516369 ] [ 3.1221661 -0.0984343 2.6317608 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.618495000000001e-11 -4.189291e-11 -6.35621e-12 ] [ 7.786157e-11 4.182088e-11 2.221171e-10 ] [ 1.26918e-10 2.7030356e-10 1.5380807e-10 ] [ 2.7234818e-10 1.0390633e-10 5.16369e-11 ] [ 3.1221661e-10 -9.843430000000001e-12 2.6317608e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.23e-05 1.17e-05 -1.54e-05 ] [ 7e-06 -3.7e-06 -2.5e-06 ] [ -3.4e-06 -5e-06 5.2e-06 ] [ 7e-07 -1.84e-05 -3.4e-06 ] [ 8e-06 1.54e-05 1.61e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.970677243584e-14 1.874546646336e-14 -2.467351996032e-14 ] [ 1.12152363456e-14 -5.928053496960001e-15 -4.005441552e-15 ] [ -5.44740051072e-15 -8.010883104e-15 8.33131842816e-15 ] [ 1.12152363456e-15 -2.948004982272e-14 -5.44740051072e-15 ] [ 1.28174129664e-14 2.467351996032e-14 2.579504359488e-14 ] ] } "relaxed-potential-energy" { "source-value" -16.079847 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.576275492944102e-18 } }