{ "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" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 2.819728 1.352428 1.364201 ] [ 2.130711 2.142985 3.535598 ] [ 2.900765 3.536828 2.247591 ] [ 4.867849 2.542824 1.805581 ] [ 4.180951 2.552465 4.619841 ] [ 3.604443 0.2919785 5.062878 ] [ 4.799237 0.5958561 3.34882 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.819728e-10 1.352428e-10 1.364201e-10 ] [ 2.130711e-10 2.142985e-10 3.535598e-10 ] [ 2.900765e-10 3.536828e-10 2.247591e-10 ] [ 4.867849e-10 2.542824e-10 1.805581e-10 ] [ 4.180951e-10 2.552465e-10 4.619841e-10 ] [ 3.604443e-10 2.919785e-11 5.062878e-10 ] [ 4.799237e-10 5.958561e-11 3.34882e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.166544 -3.1603083 -1.5456076 ] [ -2.319415 -2.2112301 3.4299923 ] [ 0.1264691 5.4154673 -1.4984195 ] [ 2.0151537 -0.5296399 0.3733722 ] [ 0.403521 1.9967425 0.7553434 ] [ -2.0300157 -1.1573386 2.1998212 ] [ 1.9708308 -0.3536929 -3.714502 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.668329031345152e-10 -5.063372072780192e-09 -2.476336361650798e-09 ] [ -3.716112486932832e-09 -3.542781169429246e-09 5.49545347258402e-09 ] [ 2.026258352736173e-10 8.6765350987669e-09 -2.400732691050825e-09 ] [ 3.228632145458617e-09 -8.4857666522285e-10 5.982082096966618e-10 ] [ 6.465119122018368e-10 3.199134151257744e-09 1.210193536155583e-09 ] [ -3.252443694396946e-09 -1.854260847269403e-09 3.524502096580201e-09 ] [ 3.157619031312561e-09 -5.666784953229523e-10 -5.951288262314842e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -11.086234 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.776210492751807e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.0060509 0.9269733 1.4984227 ] [ 1.812584 1.6982293 3.2852016 ] [ 2.8756322 3.6910723 2.9531121 ] [ 4.8559035 2.4978171 2.0387313 ] [ 4.5836902 2.977058 4.463071 ] [ 3.4557089 1.0113515 4.7376487 ] [ 4.7141145 0.2128631 3.0083227 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.0060509e-10 9.269733e-11 1.4984227e-10 ] [ 1.812584e-10 1.6982293e-10 3.2852016e-10 ] [ 2.8756322e-10 3.6910723e-10 2.9531121e-10 ] [ 4.8559035e-10 2.4978171e-10 2.0387313e-10 ] [ 4.583690200000001e-10 2.977058e-10 4.463071e-10 ] [ 3.4557089e-10 1.0113515e-10 4.7376487e-10 ] [ 4.7141145e-10 2.128631e-11 3.0083227e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.68e-05 -2.67e-05 1.3e-06 ] [ 6.1e-06 2.8e-06 -1.11e-05 ] [ 9.9e-06 1.71e-05 3.73e-05 ] [ -1.09e-05 -1.35e-05 -1.96e-05 ] [ 5.3e-06 -9e-06 -2.3e-05 ] [ -3.52e-05 -9.5e-06 2.25e-05 ] [ 7.9e-06 3.87e-05 -7.4e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.691656722944e-14 -4.277811577536e-14 2.08282960704e-15 ] [ 9.77327738688e-15 4.48609453824e-15 -1.778416049088e-14 ] [ 1.586154854592e-14 2.739722021568e-14 5.976118795584e-14 ] [ -1.746372516672e-14 -2.16293843808e-14 -3.140266176767999e-14 ] [ 8.491536090240001e-15 -1.44195895872e-14 -3.68500622784e-14 ] [ -5.639661705216e-14 -1.52206778976e-14 3.604897396800001e-14 ] [ 1.265719530432e-14 6.200423522496e-14 -1.185610699392e-14 ] ] } "relaxed-potential-energy" { "source-value" -14.445632 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.314445386308035e-18 } }