{ "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" [ [ 0.1135843 1.090818 0.6070393 ] [ 0.463669 0.0470556 2.807524 ] [ 1.463077 2.472969 2.736641 ] [ 1.89694 0.8949072 0.1877689 ] [ 2.774068 0.9895664 2.110174 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.135843e-11 1.090818e-10 6.070393e-11 ] [ 4.63669e-11 4.705560000000001e-12 2.807524e-10 ] [ 1.463077e-10 2.472969e-10 2.736641e-10 ] [ 1.89694e-10 8.949072000000001e-11 1.877689e-11 ] [ 2.774068e-10 9.895664e-11 2.110174e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -6.0166866 0.6749795 2.1182311 ] [ 0.7538524 1.1005821 -0.5584029 ] [ -2.4672857 1.3732383 0.663483 ] [ 5.0183066 -0.7799759 -4.0950743 ] [ 2.7118133 -2.368824 1.871763 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.639794605200641e-09 1.081436374419274e-09 3.393780345871467e-09 ] [ 1.20780469081397e-09 1.763326909890968e-09 -8.946600713669204e-10 ] [ -3.953027465374163e-09 2.200170299047137e-09 1.063016950898247e-09 ] [ 8.040213510526338e-09 -1.249659151767439e-09 -6.561032303898925e-09 ] [ 4.344803869234497e-09 -3.79527443158994e-09 2.998894918278471e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -13.464522 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.157254235864726e-18 } "relaxed-configuration-positions" { "source-value" [ [ -0.1559246 1.0251045 0.838356 ] [ 0.5885967 0.1864443 2.9444714 ] [ 1.3131112 2.4265649 2.228726 ] [ 2.1105176 1.3478981 0.1657259 ] [ 2.8550374 0.5093043 2.2718678 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.559246e-11 1.0251045e-10 8.38356e-11 ] [ 5.885967e-11 1.864443e-11 2.9444714e-10 ] [ 1.3131112e-10 2.4265649e-10 2.228726e-10 ] [ 2.1105176e-10 1.3478981e-10 1.657259e-11 ] [ 2.8550374e-10 5.093043000000001e-11 2.2718678e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.51e-05 -1.64e-05 -1.2e-06 ] [ 5.1e-06 1.36e-05 2e-07 ] [ -1.9e-06 8.5e-06 6e-06 ] [ -4.7e-06 9.1e-06 2.9e-06 ] [ -1.36e-05 -1.48e-05 -7.9e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.419286697408e-14 -2.627569658112e-14 -1.92261194496e-15 ] [ 8.17110076608e-15 2.178960204288e-14 3.2043532416e-16 ] [ -3.04413557952e-15 1.36185012768e-14 9.6130597248e-15 ] [ -7.53023011776e-15 1.457980724928e-14 4.646312200320001e-15 ] [ -2.178960204288e-14 -2.371221398784e-14 -1.265719530432e-14 ] ] } "relaxed-potential-energy" { "source-value" -16.28693 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.609453847060615e-18 } }