{ "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" [ [ 2.271696 2.59158 0.2830491 ] [ 1.885666 2.994299 3.04756 ] [ 2.618377 0.6246748 1.626494 ] [ 2.195128 4.700519 1.092758 ] [ 3.86025 2.803257 1.694059 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.271696e-10 2.59158e-10 2.830491e-11 ] [ 1.885666e-10 2.994299e-10 3.04756e-10 ] [ 2.618377e-10 6.246748e-11 1.626494e-10 ] [ 2.195128e-10 4.700519e-10 1.092758e-10 ] [ 3.86025e-10 2.803257e-10 1.694059e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.7727189 -0.9020693 -1.8594809 ] [ 0.4715172 -3.4438503 -4.4550599 ] [ -1.5439687 0.1041488 3.0070952 ] [ -1.506977 4.0300999 0.627184 ] [ 6.3521474 0.2116709 2.6802616 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -6.044562068230182e-09 -1.445274354708736e-09 -2.97921684934929e-09 ] [ 7.554538403691047e-10 -5.517656481653889e-09 -7.137792874850376e-09 ] [ -2.473710574767355e-09 1.668647738191392e-10 4.817897665653556e-09 ] [ -2.414443337375418e-09 6.456931892465736e-09 1.004859550018656e-09 ] [ 1.017726214000385e-08 3.391341700777506e-10 4.294252508527454e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -13.461705 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.156802920480097e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.9679083 2.509256 0.2049839 ] [ 1.6888294 2.8352082 2.7487861 ] [ 2.7356282 0.6860516 1.830921 ] [ 2.3968182 4.7996805 1.2666468 ] [ 4.0419329 2.8841335 1.6925822 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.9679083e-10 2.509256e-10 2.049839e-11 ] [ 1.6888294e-10 2.8352082e-10 2.7487861e-10 ] [ 2.7356282e-10 6.860516000000001e-11 1.830921e-10 ] [ 2.3968182e-10 4.7996805e-10 1.2666468e-10 ] [ 4.0419329e-10 2.8841335e-10 1.6925822e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.8e-06 -2.9e-06 -8.2e-06 ] [ -1.36e-05 1.2e-06 1.33e-05 ] [ -4.1e-06 -1.36e-05 -8e-07 ] [ 6.7e-06 -1.5e-06 1e-07 ] [ 1.37e-05 1.69e-05 -4.5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.486094575199999e-15 -4.6463122386e-15 -1.31378483988e-14 ] [ -2.17896022224e-14 1.9226119608e-15 2.13089492322e-14 ] [ -6.568924199399999e-15 -2.17896022224e-14 -1.2817413072e-15 ] [ 1.07345834478e-14 -2.403264951e-15 1.602176634e-16 ] [ 2.19498198858e-14 2.70767851146e-14 -7.209794853e-15 ] ] } "relaxed-potential-energy" { "source-value" -16.118168 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.582415215248651e-18 } }