{ "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" [ [ 2.625679 2.727046 1.588106 ] [ 1.116882 2.069952 3.236218 ] [ 3.070568 3.395161 4.858531 ] [ 1.593326 4.342716 3.66284 ] [ 4.916804 2.207526 1.823276 ] [ 3.525085 1.533636 3.413768 ] [ 3.625469 4.392152 2.422621 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.625679e-10 2.727046e-10 1.588106e-10 ] [ 1.116882e-10 2.069952e-10 3.236218e-10 ] [ 3.070568e-10 3.395161e-10 4.858531e-10 ] [ 1.593326e-10 4.342716e-10 3.66284e-10 ] [ 4.916804e-10 2.207526e-10 1.823276e-10 ] [ 3.525085e-10 1.533636e-10 3.413768e-10 ] [ 3.625469e-10 4.392152e-10 2.422621e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.3156347 -4.565748 -6.9312441 ] [ -2.2944759 -1.5830919 -0.6816537 ] [ 5.3196945 -0.1919034 3.1581969 ] [ -4.6221349 3.6385156 -0.0579926 ] [ 2.0558675 1.328264 -1.4314978 ] [ -1.2591119 -2.5189396 3.4392312 ] [ 3.1157954 3.8929033 2.5049601 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.710055809219599e-09 -7.315134762332232e-09 -1.110507734157036e-08 ] [ -3.67615567425612e-09 -2.536392851654664e-09 -1.092129630619646e-09 ] [ 8.523090227918312e-09 -3.074631434651556e-10 5.059989278751235e-09 ] [ -7.405476535975925e-09 5.829544676764489e-09 -9.291438866490838e-11 ] [ 3.293862871099995e-09 2.128113544583376e-09 -2.293512326782405e-09 ] [ -2.017319665771344e-09 -4.035786169577306e-09 5.510255867563781e-09 ] [ 4.992054586204683e-09 6.237118705681491e-09 4.013388541322303e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -18.878406 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.02465409803654e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.6305248 2.4556646 1.2652101 ] [ 1.0376107 2.1724216 3.0296389 ] [ 3.6079408 3.4411933 4.6632898 ] [ 1.5352854 4.2844954 3.8701155 ] [ 4.8747041 2.4690075 2.1718798 ] [ 3.2588086 1.3396025 3.5736387 ] [ 3.5289385 4.5058041 2.4315873 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.6305248e-10 2.4556646e-10 1.2652101e-10 ] [ 1.0376107e-10 2.1724216e-10 3.0296389e-10 ] [ 3.6079408e-10 3.4411933e-10 4.663289800000001e-10 ] [ 1.5352854e-10 4.2844954e-10 3.8701155e-10 ] [ 4.8747041e-10 2.4690075e-10 2.1718798e-10 ] [ 3.2588086e-10 1.3396025e-10 3.5736387e-10 ] [ 3.5289385e-10 4.5058041e-10 2.4315873e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.5e-06 6.8e-06 1.79e-05 ] [ -2.89e-05 5.3e-06 1.6e-06 ] [ 5.09e-05 -5.56e-05 -7.62e-05 ] [ 2.71e-05 -5e-07 -1.67e-05 ] [ -3.42e-05 3.36e-05 0.0001092 ] [ 1.7e-05 2.42e-05 -2.13e-05 ] [ -3.54e-05 -1.37e-05 -1.45e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.607618218999999e-15 1.08948011112e-14 2.86789617486e-14 ] [ -4.63029047226e-14 8.4915361602e-15 2.5634826144e-15 ] [ 8.155079067059998e-14 -8.908102085039999e-14 -1.220858595108e-13 ] [ 4.34189867814e-14 -8.010883169999999e-16 -2.67563497878e-14 ] [ -5.479444088279999e-14 5.383313490239999e-14 1.749576884328e-13 ] [ 2.723700277799999e-14 3.877267454279999e-14 -3.41263623042e-14 ] [ -5.671705284359999e-14 -2.19498198858e-14 -2.3231561193e-14 ] ] } "relaxed-potential-energy" { "source-value" -21.786315 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.490552483396371e-18 } }