{ "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" [ [ 0.09862 0.3102875 1.608695 ] [ 0.216089 2.435481 0.8089597 ] [ 1.587261 0.9923217 0.3598848 ] [ 2.442881 2.780277 0.9615339 ] [ 1.769015 1.574471 2.844855 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.862e-12 3.102875e-11 1.608695e-10 ] [ 2.16089e-11 2.435481e-10 8.089597e-11 ] [ 1.587261e-10 9.923217e-11 3.598848e-11 ] [ 2.442881e-10 2.780277e-10 9.615339e-11 ] [ 1.769015e-10 1.574471e-10 2.844855e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.5193377 -2.0278925 3.2836194 ] [ -4.8730892 4.7859615 0.992412 ] [ 5.2018426 -5.9964899 -4.761749 ] [ 2.8378359 3.469137 1.3727374 ] [ -0.6472515 -0.230716 -0.8870198 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.036423962840044e-09 -3.249041952995664e-09 5.260938234285324e-09 ] [ -7.807549587312975e-09 7.667955623348899e-09 1.59001930460137e-09 ] [ 8.334270598801485e-09 -9.60743592464333e-09 -7.629162921917779e-09 ] [ 4.546714332646927e-09 5.558170195752249e-09 2.199367768777778e-09 ] [ -1.037011221077731e-09 -3.696477812444928e-10 -1.421162385746692e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -3.781360775408899 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -6.058407829170298e-19 } "relaxed-configuration-positions" { "source-value" [ [ -0.0137115 0.3158514 1.6767437 ] [ 0.1526749 2.538541 0.9703731 ] [ 1.8146139 0.7739706 0.2931427 ] [ 2.4592574 2.9212842 0.9568275 ] [ 1.7010311 1.5431909 2.6868414 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ -1.37115e-12 3.158514e-11 1.6767437e-10 ] [ 1.526749e-11 2.538541e-10 9.703731e-11 ] [ 1.8146139e-10 7.739706e-11 2.931427e-11 ] [ 2.4592574e-10 2.9212842e-10 9.568275000000001e-11 ] [ 1.7010311e-10 1.5431909e-10 2.6868414e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 4.8e-06 -4.6e-06 4.6e-06 ] [ -4e-07 9.7e-06 -2.9e-06 ] [ 5e-07 1e-07 1.3e-06 ] [ -1e-07 3e-07 -2.3e-06 ] [ -4.7e-06 -5.5e-06 -8e-07 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 7.69044777984e-15 -7.370012455680001e-15 7.370012455680001e-15 ] [ -6.408706483200001e-16 1.554111322176e-14 -4.646312200320001e-15 ] [ 8.010883104e-16 1.6021766208e-16 2.08282960704e-15 ] [ -1.6021766208e-16 4.8065298624e-16 -3.68500622784e-15 ] [ -7.53023011776e-15 -8.8119714144e-15 -1.28174129664e-15 ] ] } "relaxed-potential-energy" { "source-value" -5.7659997754089005 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.238150035698192e-19 } }