{ "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" [ [ -14.5741292 -16.5629725 1.7901876 ] [ -3.9966507 6.4784798 -11.4457671 ] [ -11.193347 10.7736594 4.1964908 ] [ 4.5539672 -8.7658123 -5.0852276 ] [ 3.642311 -3.8000971 0.6007105 ] [ 17.6503878 13.7191477 -2.5452287 ] [ 3.9174609 -1.842405 12.4888345 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.335032907275861e-08 -2.653680731045333e-08 2.868196719566063e-09 ] [ -6.403340313043955e-09 1.037966887388506e-08 -1.833814045474181e-08 ] [ -1.793371887190182e-08 1.726130521114216e-08 6.72351944916229e-09 ] [ 7.296259779730038e-09 -1.404437952938108e-08 -8.147432772166893e-09 ] [ 5.835625529882669e-09 -6.08842673038988e-09 9.624443189690784e-10 ] [ 2.827903868121355e-08 2.198049770224209e-08 -4.077905917729177e-09 ] [ 6.276464266878127e-09 -2.951858217045024e-09 2.000931865694046e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -5.0623527 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -8.110783142183756e-19 } "relaxed-configuration-positions" { "source-value" [ [ 1.4450813 1.5241975 2.6167426 ] [ 3.1947072 4.0580868 1.2453587 ] [ 1.8234345 3.8028779 3.2548643 ] [ 3.4644674 1.6283655 1.3306801 ] [ 5.110225 1.9271998 3.047185 ] [ 5.2067891 4.4726658 2.4928152 ] [ 3.8385825 3.6122597 4.5382372 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.4450813e-10 1.5241975e-10 2.6167426e-10 ] [ 3.1947072e-10 4.0580868e-10 1.2453587e-10 ] [ 1.8234345e-10 3.8028779e-10 3.2548643e-10 ] [ 3.4644674e-10 1.6283655e-10 1.3306801e-10 ] [ 5.110225e-10 1.9271998e-10 3.047185e-10 ] [ 5.2067891e-10 4.4726658e-10 2.4928152e-10 ] [ 3.8385825e-10 3.6122597e-10 4.5382372e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -3.3e-06 -7.6e-06 2.09e-05 ] [ -4.9e-06 2.15e-05 -2.3e-06 ] [ -1.73e-05 3.08e-05 -3.7e-06 ] [ 2.82e-05 -5.68e-05 -2.68e-05 ] [ -1.14e-05 -6.1e-06 -2.95e-05 ] [ 1.84e-05 1.8e-05 1.7e-06 ] [ -9.7e-06 3e-07 3.97e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.28718284864e-15 -1.217654231808e-14 3.348549137472e-14 ] [ -7.850665441919999e-15 3.44467973472e-14 -3.68500622784e-15 ] [ -2.771765553984e-14 4.934703992064001e-14 -5.928053496960001e-15 ] [ 4.518138070656001e-14 -9.100363206143999e-14 -4.293833343744e-14 ] [ -1.826481347712e-14 -9.77327738688e-15 -4.72642103136e-14 ] [ 2.948004982272e-14 2.88391791744e-14 2.72370025536e-15 ] [ -1.554111322176e-14 4.8065298624e-16 6.360641184576e-14 ] ] } "relaxed-potential-energy" { "source-value" -19.086282 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.057959479839587e-18 } }