{ "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" [ [ 0.1854996 0.4736791 1.206297 ] [ 0.6742688 0.1009159 2.297624 ] [ 0.6067687 1.83215 2.754335 ] [ 0.1838578 2.712055 1.507331 ] [ 1.981528 1.354685 0.3328332 ] [ 2.901733 2.736996 1.329123 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.854996e-11 4.736791e-11 1.206297e-10 ] [ 6.742688e-11 1.009159e-11 2.297624e-10 ] [ 6.067687000000001e-11 1.83215e-10 2.754335e-10 ] [ 1.838578e-11 2.712055e-10 1.507331e-10 ] [ 1.981528e-10 1.354685e-10 3.328332e-11 ] [ 2.901733e-10 2.736996e-10 1.329123e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 175.3875582 -174.8009577 421.6712807 ] [ -196.5584592 125.9761069 -421.1720021 ] [ -14.6064073 32.1601406 -3.6746061 ] [ -6.804483 6.0963633 28.9127484 ] [ 17.9664332 -6.4332161 -27.7344514 ] [ 24.6153581 17.0015629 1.9970305 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.810018453272393e-07 -2.800620077203897e-07 6.755918676003343e-07 ] [ -3.149213679507106e-07 2.018359732545816e-07 -6.747919351001485e-07 ] [ -2.340204428994245e-08 5.152622539096088e-08 -5.887367984069067e-09 ] [ -1.090198357923105e-08 9.767450751163136e-09 4.632332952955261e-08 ] [ 2.878539923220493e-08 -1.030714843197415e-08 -4.443548962379383e-08 ] [ 3.943815126043991e-08 2.723950659544065e-08 3.199595578124534e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 270.58889 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 4.335311934062229e-17 } "relaxed-configuration-positions" { "source-value" [ [ 0.4180191 0.2598945 1.7522547 ] [ 0.4180191 0.2598945 1.7522547 ] [ 0.5903526 1.8683247 2.7501141 ] [ 0.1762612 2.7188226 1.5398445 ] [ 2.0016658 1.3474781 0.3017096 ] [ 2.9293381 2.7560667 1.3313656 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.180191e-11 2.598945e-11 1.7522547e-10 ] [ 4.180191e-11 2.598945e-11 1.7522547e-10 ] [ 5.903526e-11 1.8683247e-10 2.7501141e-10 ] [ 1.762612e-11 2.7188226e-10 1.5398445e-10 ] [ 2.0016658e-10 1.3474781e-10 3.017096e-11 ] [ 2.9293381e-10 2.7560667e-10 1.3313656e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.3151829064726569e+117 -27.5099959 1.0854513 ] [ -2.3151829064726569e+117 -27.5099959 1.0854513 ] [ -20.1552121 48.6477519 -18.8962637 ] [ -1.1881739 -5.0135938 43.5962409 ] [ 16.5333082 -5.9478869 -29.2550303 ] [ 24.4636159 17.3337206 2.3841506 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.709331925626284e+108 -4.407587226928385e-08 1.739084695876967e-09 ] [ -3.709331925626284e+108 -4.407587226928385e-08 1.739084695876967e-09 ] [ -3.229220961388527e-08 7.794229074865878e-08 -3.02751519206117e-08 ] [ -1.903664444024757e-09 -8.032662772547831e-09 6.984887792474476e-08 ] [ 2.648927986252093e-08 -9.529565334342589e-09 -4.687172558745561e-08 ] [ 3.919503345521116e-08 2.777168189679935e-08 3.819830351786293e-09 ] ] } "relaxed-potential-energy" { "source-value" -2.1419745e+100 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.43182146624977e+81 } }