{ "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" [ [ 2.384535 1.809355 2.901981 ] [ 1.948299 3.967012 2.633856 ] [ 1.645033 3.274995 4.707865 ] [ 4.440095 1.758867 2.666287 ] [ 3.649735 2.240012 5.07701 ] [ 4.164388 4.024114 1.736165 ] [ 3.303688 4.596831 4.046686 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.384535e-10 1.809355e-10 2.901981e-10 ] [ 1.948299e-10 3.967012e-10 2.633856000000001e-10 ] [ 1.645033e-10 3.274995e-10 4.707865e-10 ] [ 4.440095e-10 1.758867e-10 2.666287e-10 ] [ 3.649735e-10 2.240012e-10 5.07701e-10 ] [ 4.164388e-10 4.024114e-10 1.736165e-10 ] [ 3.303688e-10 4.596831e-10 4.046686e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.2396068 -4.4102905 -2.3147861 ] [ -3.6660126 1.6026524 -6.8952081 ] [ -4.6782437 -1.2074128 5.7179851 ] [ 2.6565066 0.9380899 -0.5420576 ] [ 2.2817966 -1.044627 1.4771307 ] [ 1.2051192 -0.7815498 -0.2209107 ] [ 5.4404407 4.9031377 2.7778467 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.190422275544702e-09 -7.066064330036343e-09 -3.708696171572811e-09 ] [ -5.873599679278222e-09 2.56773220654901e-09 -1.104734121337079e-08 ] [ -7.49537268254489e-09 -1.934488559814666e-09 9.16122204530275e-09 ] [ 4.256192767520898e-09 1.50298570598861e-09 -8.684720138469582e-10 ] [ 3.655841165940929e-09 -1.673676956856442e-09 2.366624273405939e-09 ] [ 1.930813807517199e-09 -1.252180817550916e-09 -3.539379588245625e-10 ] [ 8.716546896388787e-09 7.855692591503084e-09 4.450601038906432e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -10.469132 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.677339853046915e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.0114537 1.5420198 2.7728253 ] [ 1.7393551 3.8250686 2.1240769 ] [ 1.7304793 3.2621969 4.5457475 ] [ 4.2710764 1.866314 2.7989739 ] [ 4.0231163 2.4150252 5.00106 ] [ 4.0093374 4.0625063 2.1748834 ] [ 3.7509548 4.6980551 4.352283 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0114537e-10 1.5420198e-10 2.7728253e-10 ] [ 1.7393551e-10 3.8250686e-10 2.1240769e-10 ] [ 1.7304793e-10 3.262196900000001e-10 4.5457475e-10 ] [ 4.2710764e-10 1.866314e-10 2.7989739e-10 ] [ 4.0231163e-10 2.4150252e-10 5.00106e-10 ] [ 4.0093374e-10 4.0625063e-10 2.1748834e-10 ] [ 3.7509548e-10 4.6980551e-10 4.352283e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.2e-06 -3.9e-05 -1.01e-05 ] [ 7.1e-06 2.07e-05 -2.61e-05 ] [ -3.8e-05 4.16e-05 3.93e-05 ] [ 3.24e-05 -1.5e-06 2.9e-06 ] [ 1.51e-05 -4.68e-05 1.59e-05 ] [ -2.39e-05 6.2e-06 -4.46e-05 ] [ 5.1e-06 1.88e-05 2.27e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.52478856576e-15 -6.248488821120001e-14 -1.618198387008e-14 ] [ 1.137545400768e-14 3.316505605055999e-14 -4.181680980288e-14 ] [ -6.08827115904e-14 6.665054742528e-14 6.296554119743999e-14 ] [ 5.191052251392001e-14 -2.4032649312e-15 4.646312200320001e-15 ] [ 2.419286697408e-14 -7.498186585344001e-14 2.547460827072e-14 ] [ -3.829202123712e-14 9.93349504896e-15 -7.145707728768e-14 ] [ 8.17110076608e-15 3.012092047104e-14 3.636940929216e-14 ] ] } "relaxed-potential-energy" { "source-value" -14.445632 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.314445386308035e-18 } }