{ "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" [ [ -9.4922166 3.5597964 -4.0041487 ] [ 0.6988053 -5.0632975 3.2991246 ] [ 8.0662997 1.5358637 0.9274294 ] [ 0.8877267 3.5725589 7.1575486 ] [ -0.1606152 -3.6049215 -7.3799539 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.520820751608967e-08 5.703422566888005e-09 -6.415353433346713e-09 ] [ 1.11960951415113e-09 -8.112296878655088e-09 5.285780303226151e-09 ] [ 1.292363679570605e-08 2.460724912875385e-09 1.485905702122571e-09 ] [ 1.422294964399935e-09 5.723870346010966e-09 1.146765702915977e-08 ] [ -2.573339183851162e-10 -5.775720947119268e-09 -1.182398960116178e-08 ] ] } "unrelaxed-potential-energy" { "source-value" -6.3353149 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.015029341818589e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.4177851 0.5197338 2.5042595 ] [ -0.9384202 1.4449568 1.0352247 ] [ 2.5520747 0.797157 2.9598898 ] [ 3.2840007 3.0902072 -0.2812994 ] [ 3.7369622 2.0954044 1.6277339 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.177851e-11 5.197338e-11 2.5042595e-10 ] [ -9.384202000000001e-11 1.4449568e-10 1.0352247e-10 ] [ 2.5520747e-10 7.971570000000001e-11 2.9598898e-10 ] [ 3.2840007e-10 3.0902072e-10 -2.812994e-11 ] [ 3.7369622e-10 2.0954044e-10 1.6277339e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -0.5832272 0.0982302 -0.2321939 ] [ 0.00633 -0.2605681 0.2812525 ] [ 0.5084099 0.3167555 -0.2376136 ] [ 0.1837975 0.1749271 -0.163737 ] [ -0.1153102 -0.3293447 0.352292 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -9.344329844546458e-10 1.573821298965082e-10 -3.720156380723731e-10 ] [ 1.0141778009664e-11 -4.174761179462765e-10 4.506161800415521e-10 ] [ 8.145624555632659e-10 5.074982566098145e-10 -3.806989547041229e-10 ] [ 2.94476057461488e-10 2.802641099643437e-10 -2.623355933599296e-10 ] [ -1.847473065797721e-10 -5.276683785243897e-10 5.644340060948736e-10 ] ] } "relaxed-potential-energy" { "source-value" -10.635955 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.704067844088086e-18 } }