{ "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" [ [ 0.3288529 1.174724 0.8712814 ] [ 1.395659 1.176494 2.521247 ] [ 2.395391 0.4245255 0.3168768 ] [ 2.017962 2.536207 0.5333854 ] [ 2.744316 1.992854 1.84914 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.288529e-11 1.174724e-10 8.712814e-11 ] [ 1.395659e-10 1.176494e-10 2.521247e-10 ] [ 2.395391e-10 4.245255e-11 3.168768e-11 ] [ 2.017962e-10 2.536207e-10 5.333854e-11 ] [ 2.744316e-10 1.992854e-10 1.84914e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -10.9730201 -2.0565694 -6.9757967 ] [ -18.6842522 -14.5785016 22.799527 ] [ 2.7874579 -9.4243645 -5.9015808 ] [ -17.5575486 24.2285792 -39.7083305 ] [ 44.427363 1.8308563 29.786181 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.758071626378848e-08 -3.294987411732683e-09 -1.117645838419379e-08 ] [ -2.993547205197097e-08 -2.335733442981539e-08 3.652886912469837e-08 ] [ 4.465999878844264e-09 -1.509949646779748e-08 -9.45537478352216e-09 ] [ -2.813029388547977e-08 3.881846314944117e-08 -6.361975877809959e-08 ] [ 7.118048232239495e-08 2.933355159904391e-09 4.772272282111717e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 6.6768756 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 1.069753398630997e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.389122 1.0842104 0.6288581 ] [ 1.1317311 1.2192031 2.8900486 ] [ 2.5292659 0.077364 0.3310001 ] [ 1.6683114 3.0863125 0.434111 ] [ 3.1637505 1.8377145 1.8079127 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.89122e-11 1.0842104e-10 6.288581e-11 ] [ 1.1317311e-10 1.2192031e-10 2.8900486e-10 ] [ 2.5292659e-10 7.7364e-12 3.310001e-11 ] [ 1.6683114e-10 3.0863125e-10 4.34111e-11 ] [ 3.1637505e-10 1.8377145e-10 1.8079127e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -5.1e-06 -1.2e-05 1.2e-06 ] [ 1.9e-06 8.3e-06 -2e-07 ] [ 1.6e-06 5.5e-06 -4.8e-06 ] [ 8e-07 8e-06 -3e-06 ] [ 8e-07 -9.8e-06 6.8e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -8.17110076608e-15 -1.92261194496e-14 1.92261194496e-15 ] [ 3.04413557952e-15 1.329806595264e-14 -3.2043532416e-16 ] [ 2.56348259328e-15 8.8119714144e-15 -7.69044777984e-15 ] [ 1.28174129664e-15 1.28174129664e-14 -4.8065298624e-15 ] [ 1.28174129664e-15 -1.570133088384e-14 1.089480102144e-14 ] ] } "relaxed-potential-energy" { "source-value" -14.103084 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.259563146597855e-18 } }