{ "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" [ [ 2.316837 2.864638 1.901515 ] [ 3.52699 0.8132212 1.584521 ] [ 4.498469 2.850966 1.401087 ] [ 3.329161 3.035367 4.525662 ] [ 4.789001 1.444676 3.549999 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.316837e-10 2.864638e-10 1.901515e-10 ] [ 3.52699e-10 8.132212e-11 1.584521e-10 ] [ 4.498469e-10 2.850966e-10 1.401087e-10 ] [ 3.329161e-10 3.035367e-10 4.525662e-10 ] [ 4.789001e-10 1.444676e-10 3.549999e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.1021681 0.0796047 2.2596536 ] [ -0.1442352 -0.375206 0.5191964 ] [ 1.0938221 0.2907742 0.3746736 ] [ -0.1711918 -0.8972432 -2.7042938 ] [ -0.8805631 0.9020703 -0.4492298 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.636913412115565e-10 1.275407892457978e-10 3.620364169026555e-09 ] [ -2.310902653364122e-10 -6.011462811838848e-10 8.318443336835251e-10 ] [ 1.75249619593436e-09 4.658716251718234e-10 6.002932823509708e-10 ] [ -2.742794996326695e-10 -1.437542078211779e-09 -4.332756302134391e-09 ] [ -1.410817611959173e-09 1.445275944978042e-09 -7.197454829266599e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -13.475997 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.159092733537094e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.147096 2.7175401 2.0814454 ] [ 3.4775552 0.8267558 1.6038336 ] [ 4.5570325 3.0120623 1.7943322 ] [ 3.4741281 3.171621 3.9804188 ] [ 4.8046462 1.280889 3.5027539 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.147096e-10 2.7175401e-10 2.0814454e-10 ] [ 3.4775552e-10 8.267558000000001e-11 1.6038336e-10 ] [ 4.5570325e-10 3.0120623e-10 1.7943322e-10 ] [ 3.474128100000001e-10 3.171621e-10 3.9804188e-10 ] [ 4.8046462e-10 1.280889e-10 3.5027539e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 5.2e-06 -1.33e-05 1.65e-05 ] [ 1.84e-05 1.21e-05 -9.3e-06 ] [ -1.05e-05 -1.34e-05 1.16e-05 ] [ 1.74e-05 6.5e-06 -1.38e-05 ] [ -3.05e-05 8.1e-06 -5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 8.33131842816e-15 -2.130894905664e-14 2.64359142432e-14 ] [ 2.948004982272e-14 1.938633711168e-14 -1.490024257344e-14 ] [ -1.68228545184e-14 -2.146916671872e-14 1.858524880128e-14 ] [ 2.787787320192e-14 1.04141480352e-14 -2.211003736704e-14 ] [ -4.88663869344e-14 1.297763062848e-14 -8.010883104e-15 ] ] } "relaxed-potential-energy" { "source-value" -14.50509 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.323971608059987e-18 } }