{ "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" [ [ 0.4264597 0.3568663 1.24612 ] [ 0.1993437 1.82063 0.3429825 ] [ 0.3583889 1.799016 2.47518 ] [ 1.901803 0.1168384 0.4528213 ] [ 1.669099 0.8043485 2.197104 ] [ 2.479285 2.402454 1.01494 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.264597e-11 3.568663e-11 1.24612e-10 ] [ 1.993437e-11 1.82063e-10 3.429825e-11 ] [ 3.583889e-11 1.799016e-10 2.47518e-10 ] [ 1.901803e-10 1.168384e-11 4.528213e-11 ] [ 1.669099e-10 8.043485000000001e-11 2.197104e-10 ] [ 2.479285e-10 2.402454e-10 1.01494e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -74.700069 -98.8633562 -5.4265043 ] [ -17.3744163 62.3273993 -37.6843733 ] [ -83.4488699 93.7910579 48.0573905 ] [ 59.9646124 -51.1086565 -118.2690885 ] [ 109.9027445 -11.2798201 116.8437795 ] [ 5.6559982 5.1333757 -3.5212039 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.196827041239468e-07 -1.583965579574627e-07 -8.69421832213067e-09 ] [ -2.783688359590644e-08 9.98595019937263e-08 -6.037702187075974e-08 ] [ -1.336998283859608e-07 1.502698402074791e-07 7.699642751575602e-08 ] [ 9.607390006261379e-08 -8.188509456479796e-08 -1.894879685580261e-07 ] [ 1.760836077996558e-07 -1.807226405104992e-08 1.872043718008103e-07 ] [ 9.061908083326884e-09 8.224574532322834e-09 -5.641590565649782e-09 ] ] } "unrelaxed-potential-energy" { "source-value" 90.580907 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.451266114862591e-17 } "relaxed-configuration-positions" { "source-value" [ [ 0.0215757 -0.0304931 1.0301954 ] [ 0.0566646 2.5379963 0.3881452 ] [ -0.2399518 1.9294007 2.9150081 ] [ 2.4841424 -0.3212757 0.2570884 ] [ 2.1325477 0.8997006 2.6752865 ] [ 2.5794007 2.2848243 0.4634242 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.15757e-12 -3.04931e-12 1.0301954e-10 ] [ 5.66646e-12 2.5379963e-10 3.881452e-11 ] [ -2.399518e-11 1.9294007e-10 2.9150081e-10 ] [ 2.4841424e-10 -3.212757e-11 2.570884e-11 ] [ 2.1325477e-10 8.997006e-11 2.6752865e-10 ] [ 2.5794007e-10 2.2848243e-10 4.634242e-11 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.7e-06 7.1e-06 -2.69e-05 ] [ -1.44e-05 2.73e-05 7.7e-06 ] [ 2.51e-05 -4.06e-05 1.33e-05 ] [ 3.4e-06 -4.58e-05 1.1e-06 ] [ -3.28e-05 3.7e-05 4.55e-05 ] [ 1.5e-05 1.51e-05 -4.07e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.928053496960001e-15 1.137545400768e-14 -4.309855109952001e-14 ] [ -2.307134333952e-14 4.373942174784e-14 1.233675998016e-14 ] [ 4.021463318208e-14 -6.504837080448e-14 2.130894905664e-14 ] [ 5.44740051072e-15 -7.337968923264e-14 1.76239428288e-15 ] [ -5.255139316223999e-14 5.92805349696e-14 7.28990362464e-14 ] [ 2.4032649312e-14 2.419286697408e-14 -6.520858846656e-14 ] ] } "relaxed-potential-energy" { "source-value" -19.865808 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.182853313090161e-18 } }