{ "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" [ [ 1.98485 2.119324 1.827991 ] [ 0.9744942 2.30107 3.805126 ] [ 2.339547 3.991011 2.574302 ] [ 4.37234 1.986188 1.289197 ] [ 3.548577 1.396458 3.420144 ] [ 4.317537 3.428201 2.979668 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.98485e-10 2.119324e-10 1.827991e-10 ] [ 9.744942e-11 2.30107e-10 3.805126e-10 ] [ 2.339547e-10 3.991011e-10 2.574302e-10 ] [ 4.37234e-10 1.986188e-10 1.289197e-10 ] [ 3.548577e-10 1.396458e-10 3.420144e-10 ] [ 4.317537e-10 3.428201e-10 2.979668e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -5.5664016 -0.2355417 -6.9028526 ] [ -5.2349624 -3.6864017 6.3867508 ] [ 1.8863487 7.2230639 -2.9403325 ] [ 4.9619497 -3.0780726 -9.1462458 ] [ 0.7177046 -9.3855131 8.8597939 ] [ 3.2353611 9.1624652 3.7428863 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.918358578980213e-09 -3.773794080726377e-10 -1.105958914366615e-08 ] [ -8.38733443714856e-09 -5.906266667277876e-09 1.023270289894081e-08 ] [ 3.022263810716276e-09 1.157262420646891e-08 -4.710932027690805e-09 ] [ 7.94991986842331e-09 -4.931615997475628e-09 -1.465390130958064e-08 ] [ 1.149889540234316e-09 -1.503724978692091e-08 1.419495476863573e-08 ] [ 5.183619956972536e-09 1.467988765327814e-08 5.996764973578714e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -6.2348977 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.989407410320342e-19 } "relaxed-configuration-positions" { "source-value" [ [ 2.2547652 1.9398127 1.3048478 ] [ 1.0152827 2.0911921 4.926865 ] [ 2.2927421 4.4769618 2.0547686 ] [ 4.8611676 2.2308088 0.8253308 ] [ 2.8371342 1.2929603 3.5416922 ] [ 4.2762534 3.1905163 3.2429236 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.2547652e-10 1.9398127e-10 1.3048478e-10 ] [ 1.0152827e-10 2.0911921e-10 4.926865e-10 ] [ 2.2927421e-10 4.4769618e-10 2.0547686e-10 ] [ 4.8611676e-10 2.2308088e-10 8.253308e-11 ] [ 2.8371342e-10 1.2929603e-10 3.5416922e-10 ] [ 4.2762534e-10 3.1905163e-10 3.2429236e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.05e-05 -8e-07 1.45e-05 ] [ -1.63e-05 -8.1e-06 -1e-06 ] [ 1.67e-05 1.7e-06 -8.5e-06 ] [ -9.9e-06 -1.1e-05 2.9e-06 ] [ 3.26e-05 3.8e-06 -2.34e-05 ] [ -2.6e-06 1.43e-05 1.55e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.2844620997e-14 -1.2817413072e-15 2.3231561193e-14 ] [ -2.61154791342e-14 -1.29776307354e-14 -1.602176634e-15 ] [ 2.67563497878e-14 2.7237002778e-15 -1.3618501389e-14 ] [ -1.58615486766e-14 -1.7623942974e-14 4.6463122386e-15 ] [ 5.22309582684e-14 6.088271209199999e-15 -3.749093323559999e-14 ] [ -4.165659248399999e-15 2.29111258662e-14 2.4833737827e-14 ] ] } "relaxed-potential-energy" { "source-value" -14.986414 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.401088233825048e-18 } }