{ "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" [ [ 2.221555 1.50122 1.826509 ] [ 1.576881 2.934657 3.026633 ] [ 2.584327 1.716088 4.47164 ] [ 2.903501 3.607036 1.073051 ] [ 4.2877 3.061946 5.191695 ] [ 4.423391 1.863673 3.155042 ] [ 3.612063 4.220863 3.087476 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.221555e-10 1.50122e-10 1.826509e-10 ] [ 1.576881e-10 2.934657e-10 3.026633e-10 ] [ 2.584327e-10 1.716088e-10 4.47164e-10 ] [ 2.903501e-10 3.607036e-10 1.073051e-10 ] [ 4.2877e-10 3.061946e-10 5.191695e-10 ] [ 4.423391e-10 1.863673e-10 3.155042e-10 ] [ 3.612063e-10 4.220863e-10 3.087476e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 3.7620718 -8.2398701 -5.2414347 ] [ -6.7608471 9.9200531 3.5289749 ] [ -1.5625258 -4.2490375 3.7151758 ] [ -0.5654695 -0.0249924 -2.8116932 ] [ 0.9760813 1.4368156 0.8197891 ] [ 2.397268 -0.8389237 -2.4335426 ] [ 1.7534214 1.995955 2.4227307 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 6.027503483730974e-09 -1.320172723264896e-08 -8.397704135789862e-09 ] [ -1.083207116042348e-08 1.589367715391456e-08 5.654041080170019e-09 ] [ -2.503442306156816e-09 -6.80770854340248e-09 5.952367808921937e-09 ] [ -9.059820126754656e-10 -4.004223897768192e-11 -4.504829109902339e-09 ] [ 1.563854638860071e-09 2.302032362720724e-09 1.313446930006673e-09 ] [ 3.840846743391974e-09 -1.344103938775033e-09 -3.898965059440846e-09 ] [ 2.809290773490405e-09 3.197872437168864e-09 3.881642486034418e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -18.45261 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.956434033474029e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.3856452 1.2728802 1.9324341 ] [ 1.6220481 3.3107834 3.2143765 ] [ 2.4797258 1.3320154 4.4212173 ] [ 2.7509894 3.5152996 1.0711613 ] [ 3.9921235 3.102155 5.1161665 ] [ 4.4910898 1.9604718 3.0287502 ] [ 3.8877961 4.4118776 3.0479402 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.3856452e-10 1.2728802e-10 1.9324341e-10 ] [ 1.6220481e-10 3.3107834e-10 3.214376500000001e-10 ] [ 2.4797258e-10 1.3320154e-10 4.421217300000001e-10 ] [ 2.7509894e-10 3.5152996e-10 1.0711613e-10 ] [ 3.9921235e-10 3.102155000000001e-10 5.1161665e-10 ] [ 4.4910898e-10 1.9604718e-10 3.0287502e-10 ] [ 3.8877961e-10 4.411877600000001e-10 3.0479402e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.32e-05 8.9e-06 -2.4e-06 ] [ 7.7e-06 1.6e-06 1.23e-05 ] [ -5.2e-06 -1.33e-05 -1.28e-05 ] [ 1.96e-05 -2.32e-05 1.65e-05 ] [ 2.3e-06 -4.2e-06 1.25e-05 ] [ -5.1e-06 2.18e-05 -2.7e-06 ] [ -6.1e-06 8.4e-06 -2.33e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.114873139456e-14 1.425937192512e-14 -3.84522388992e-15 ] [ 1.233675998016e-14 2.56348259328e-15 1.970677243584e-14 ] [ -8.33131842816e-15 -2.130894905664e-14 -2.050786074624e-14 ] [ 3.140266176767999e-14 -3.717049760256e-14 2.64359142432e-14 ] [ 3.68500622784e-15 -6.72914180736e-15 2.002720776e-14 ] [ -8.17110076608e-15 3.492745033344e-14 -4.32587687616e-15 ] [ -9.77327738688e-15 1.345828361472e-14 -3.733071526464e-14 ] ] } "relaxed-potential-energy" { "source-value" -22.032609 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.530013103502767e-18 } }