{ "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" [ [ 2.272226 1.517825 2.823083 ] [ 2.079314 3.025232 4.309487 ] [ 1.624731 3.89644 2.167347 ] [ 4.204366 1.580563 1.938725 ] [ 4.130904 2.338344 4.256427 ] [ 3.588528 3.628489 1.149971 ] [ 3.881136 4.134812 3.114475 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.272226e-10 1.517825e-10 2.823083e-10 ] [ 2.079314e-10 3.025232e-10 4.309487e-10 ] [ 1.624731e-10 3.89644e-10 2.167347e-10 ] [ 4.204366000000001e-10 1.580563e-10 1.938725e-10 ] [ 4.130904e-10 2.338344e-10 4.256427000000001e-10 ] [ 3.588528e-10 3.628489e-10 1.149971e-10 ] [ 3.881136e-10 4.134812e-10 3.114475e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -4.621932 -5.596832 -1.4619295 ] [ -4.9535382 3.8821852 4.3867548 ] [ -2.8476546 0.8473039 -0.1364964 ] [ 3.7992658 -1.435397 -2.0972089 ] [ 5.1436558 -4.4145997 2.8422772 ] [ 1.2291492 -0.588881 -7.9578158 ] [ 2.2510541 7.3062206 4.4244186 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -7.405151393327386e-09 -8.967113380945306e-09 -2.342269266157834e-09 ] [ -7.936443094279715e-09 6.219946365055771e-09 7.02835598174218e-09 ] [ -4.562445624233576e-09 1.357530499292661e-09 -2.186913409033651e-10 ] [ 6.08709484096501e-09 -2.299759514966458e-09 -3.360099068513685e-09 ] [ 8.241045068202322e-09 -7.072968429530694e-09 4.553830079672886e-09 ] [ 1.969314111715023e-09 -9.434913706333248e-10 -1.274982642739285e-08 ] [ 3.606586251175986e-09 1.170585583172735e-08 7.088700041552667e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -16.88997 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.706071506001338e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.7655611 1.3865301 2.4622479 ] [ 1.9975634 2.577317 4.5040241 ] [ 1.818465 3.8215101 2.417441 ] [ 4.0943403 1.4757336 2.1480775 ] [ 4.3259282 2.6643888 4.1862013 ] [ 3.7736644 3.502719 0.9998744 ] [ 4.0056827 4.6935065 3.0416489 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.7655611e-10 1.3865301e-10 2.4622479e-10 ] [ 1.9975634e-10 2.577317e-10 4.5040241e-10 ] [ 1.818465e-10 3.8215101e-10 2.417441000000001e-10 ] [ 4.0943403e-10 1.4757336e-10 2.1480775e-10 ] [ 4.3259282e-10 2.6643888e-10 4.1862013e-10 ] [ 3.7736644e-10 3.502719e-10 9.998744e-11 ] [ 4.0056827e-10 4.6935065e-10 3.0416489e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.39e-05 -2.9e-06 -8e-07 ] [ 7.7e-06 -3.1e-06 1.03e-05 ] [ 3.7e-06 -6e-07 -8.9e-06 ] [ -3.1e-06 -9.8e-06 -1e-06 ] [ 3.4e-06 5.1e-06 -8.4e-06 ] [ 1.3e-05 3.8e-06 3.8e-06 ] [ -1.09e-05 7.5e-06 5e-06 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.227025502912e-14 -4.646312200320001e-15 -1.28174129664e-15 ] [ 1.233675998016e-14 -4.96674752448e-15 1.650241919424e-14 ] [ 5.928053496960001e-15 -9.6130597248e-16 -1.425937192512e-14 ] [ -4.96674752448e-15 -1.570133088384e-14 -1.6021766208e-15 ] [ 5.44740051072e-15 8.17110076608e-15 -1.345828361472e-14 ] [ 2.08282960704e-14 6.08827115904e-15 6.08827115904e-15 ] [ -1.746372516672e-14 1.2016324656e-14 8.010883104e-15 ] ] } "relaxed-potential-energy" { "source-value" -22.906032 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.669950894569667e-18 } }