{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.6874791 0.1657934 2.219954 ] [ 0.5100092 2.362694 1.535272 ] [ 2.868635 0.820347 0.8272379 ] [ 1.615801 0.0071538 0.7495484 ] [ 2.741884 2.697599 0.8166341 ] [ 2.318736 2.919901 2.403388 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.874791e-11 1.657934e-11 2.219954e-10 ] [ 5.100092000000001e-11 2.362694e-10 1.535272e-10 ] [ 2.868635e-10 8.203470000000001e-11 8.272379e-11 ] [ 1.615801e-10 7.1538e-13 7.495484e-11 ] [ 2.741884e-10 2.697599e-10 8.166341000000001e-11 ] [ 2.318736e-10 2.919901e-10 2.403388e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -25.3509771 -10.4256018 27.2374133 ] [ -40.4054993 20.2702165 6.6436193 ] [ 72.3270745 -8.6720401 -15.7661386 ] [ -30.0542384 -51.4753469 -27.1351457 ] [ 21.4223432 27.1736764 -29.5766026 ] [ 2.0612971 23.1290959 38.5968543 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.061674282405619e-08 -1.67036554617304e-08 4.363914680032698e-08 ] [ -6.473674633021078e-08 3.24764669748544e-08 1.064425151995566e-08 ] [ 1.158807478147598e-07 -1.389413990286009e-08 -2.526013866521244e-08 ] [ -4.81521981204296e-08 -8.247259735074975e-08 -4.347529604254165e-08 ] [ 3.432237743779386e-08 4.353702902926471e-08 -4.73869412084125e-08 ] [ 3.30256202214284e-09 3.705689671122113e-08 6.183897759588394e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 42.636649 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 6.83114422170557e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.2300148 0.1163052 2.281025 ] [ -0.0426361 2.4518404 2.3169512 ] [ 3.6234832 0.5393244 0.533721 ] [ 1.5148292 -0.4942206 0.4083614 ] [ 3.3508325 2.8748604 0.5696543 ] [ 2.0660207 3.4853785 2.4423215 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.300148e-11 1.163052e-11 2.281025e-10 ] [ -4.263610000000001e-12 2.4518404e-10 2.3169512e-10 ] [ 3.6234832e-10 5.393244000000001e-11 5.33721e-11 ] [ 1.5148292e-10 -4.942206e-11 4.083614e-11 ] [ 3.3508325e-10 2.8748604e-10 5.696543e-11 ] [ 2.0660207e-10 3.4853785e-10 2.4423215e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.1e-06 -1.24e-05 6.7e-06 ] [ 1.25e-05 -5.8e-06 -1.32e-05 ] [ -2.9e-06 1.05e-05 1.51e-05 ] [ -1.18e-05 1.32e-05 -2e-07 ] [ -1e-07 1.6e-06 -8.7e-06 ] [ 3.3e-06 -7e-06 4e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.76239428288e-15 -1.986699009792e-14 1.073458335936e-14 ] [ 2.002720776e-14 -9.292624400640001e-15 -2.114873139456e-14 ] [ -4.646312200320001e-15 1.68228545184e-14 2.419286697408e-14 ] [ -1.890568412544e-14 2.114873139456e-14 -3.2043532416e-16 ] [ -1.6021766208e-16 2.56348259328e-15 -1.393893660096e-14 ] [ 5.28718284864e-15 -1.12152363456e-14 6.408706483200001e-16 ] ] } "relaxed-potential-energy" { "source-value" -13.0092 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.084303609531136e-18 } }