{ "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" [ [ 2.304566 2.573407 2.013286 ] [ 1.594988 1.205897 3.788304 ] [ 4.305804 2.27362 1.126873 ] [ 3.775257 0.6680547 2.70197 ] [ 5.174566 3.086819 3.056932 ] [ 3.543793 4.723705 1.740813 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.304566e-10 2.573407e-10 2.013286e-10 ] [ 1.594988e-10 1.205897e-10 3.788304e-10 ] [ 4.305804000000001e-10 2.27362e-10 1.126873e-10 ] [ 3.775257e-10 6.680547000000001e-11 2.70197e-10 ] [ 5.174566e-10 3.086819000000001e-10 3.056932e-10 ] [ 3.543793e-10 4.723705e-10 1.740813e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.9377338 -7.4857409 10.0053211 ] [ 4.2572245 7.6625334 -10.1754981 ] [ 1.3400893 -1.0236122 6.2340841 ] [ 0.5245717 2.3189068 -2.4136835 ] [ -1.0790306 -1.2899098 -3.6733494 ] [ -0.1051212 -0.1821773 0.0231258 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.911121654093944e-09 -1.199347905934635e-08 1.603029155001694e-08 ] [ 6.82082556339697e-09 1.227673186957914e-08 -1.630294516081482e-08 ] [ 2.147059746244237e-09 -1.640007535605654e-09 9.98810379712101e-09 ] [ 8.404565136733114e-10 3.715298260774142e-09 -3.867147273710717e-09 ] [ -1.728797600447797e-09 -2.066663324500804e-09 -5.885354528709709e-09 ] [ -1.68422728990441e-10 -2.918802109004679e-10 3.705161609729664e-11 ] ] } "unrelaxed-potential-energy" { "source-value" -6.2218197 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.968454062172871e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.0562522 3.2877279 2.2928854 ] [ 2.2513162 1.206774 2.9947463 ] [ 4.4074044 2.246975 1.3187471 ] [ 3.5538477 -0.5275708 3.3621911 ] [ 5.4179531 3.2333195 3.0022156 ] [ 3.0122004 5.0842771 1.4573925 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0562522e-10 3.2877279e-10 2.2928854e-10 ] [ 2.2513162e-10 1.206774e-10 2.9947463e-10 ] [ 4.4074044e-10 2.246975e-10 1.3187471e-10 ] [ 3.5538477e-10 -5.275708e-11 3.3621911e-10 ] [ 5.4179531e-10 3.2333195e-10 3.0022156e-10 ] [ 3.0122004e-10 5.084277100000001e-10 1.4573925e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.0723103 -0.5992075 0.1976837 ] [ -0.0330524 0.6024737 -0.206591 ] [ 0.0017481 0.0017062 0.0029121 ] [ -0.008909 -0.1221292 0.0450758 ] [ -0.0017481 -0.0017062 -0.0029121 ] [ -0.0303489 0.118863 -0.0361685 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.158538721030342e-10 -9.60036247508016e-10 3.16724202453241e-10 ] [ -5.295578254132993e-11 9.65269276786873e-10 -3.309952702676928e-10 ] [ 2.80076495082048e-12 2.73363375040896e-12 4.66569853743168e-12 ] [ -1.42737915147072e-11 -1.956725489570073e-10 7.221939292385664e-11 ] [ -2.80076495082048e-12 -2.73363375040896e-12 -4.66569853743168e-12 ] [ -4.862429804699713e-11 1.904395196781504e-10 -5.79483251094048e-11 ] ] } "relaxed-potential-energy" { "source-value" -11.250891 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.802591452336913e-18 } }