{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.7481215 0.3697243 2.264709 ] [ 0.2413431 2.204484 1.035234 ] [ 2.632044 0.6504598 2.339521 ] [ 2.588426 1.874203 0.0457334 ] [ 2.842468 2.848588 2.160611 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 7.481215e-11 3.697243e-11 2.264709e-10 ] [ 2.413431e-11 2.204484e-10 1.035234e-10 ] [ 2.632044e-10 6.504598e-11 2.339521e-10 ] [ 2.588426e-10 1.874203e-10 4.57334e-12 ] [ 2.842468e-10 2.848588e-10 2.160611e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -8.0419423 -4.1711854 1.8587137 ] [ -4.9259748 2.4084845 -2.5576951 ] [ 8.4569132 -4.7595397 4.025329 ] [ 1.3335863 0.9988379 -5.8494857 ] [ 3.1774176 5.5234027 2.5231381 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.288461193888258e-08 -6.682975728902297e-09 2.977987634900665e-09 ] [ -7.892281659209955e-09 3.858817557459178e-09 -4.097879292354719e-09 ] [ 1.354946861317492e-08 -7.625623233109446e-09 6.449288014828244e-09 ] [ 2.136640791679175e-09 1.600314731348968e-09 -9.371909232243922e-09 ] [ 5.090784193238447e-09 8.849466673203597e-09 4.042512874869733e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -2.8972555 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.641915026584215e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.4912144 0.2824831 2.3389839 ] [ 0.1412355 1.6603809 0.4511432 ] [ 2.6643738 0.7108267 3.1629567 ] [ 2.0980988 2.940309 0.1083637 ] [ 3.6574801 2.3534593 1.7843609 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.912144e-11 2.824831e-11 2.3389839e-10 ] [ 1.412355e-11 1.6603809e-10 4.511432000000001e-11 ] [ 2.6643738e-10 7.108267e-11 3.1629567e-10 ] [ 2.0980988e-10 2.940309e-10 1.083637e-11 ] [ 3.6574801e-10 2.3534593e-10 1.7843609e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 8e-07 -0.0 5e-07 ] [ 2.3e-06 -2.3e-06 3.9e-06 ] [ -4.3e-06 7e-07 -3.3e-06 ] [ 1.1e-06 1.9e-06 -1.1e-06 ] [ 0.0 -3e-07 -0.0 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.28174129664e-15 0.0 8.010883104e-16 ] [ 3.68500622784e-15 -3.68500622784e-15 6.24848882112e-15 ] [ -6.889359469440001e-15 1.12152363456e-15 -5.28718284864e-15 ] [ 1.76239428288e-15 3.04413557952e-15 -1.76239428288e-15 ] [ 0.0 -4.8065298624e-16 0.0 ] ] } "relaxed-potential-energy" { "source-value" -7.0960126 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.136906548862222e-18 } }