{ "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" [ [ 0.3126518 0.5217928 0.1846885 ] [ 0.8333114 2.588069 2.680495 ] [ 2.642381 0.0430457 2.992394 ] [ 2.45603 2.243401 1.184533 ] [ 2.245972 1.834771 2.762862 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.126518e-11 5.217928e-11 1.846885e-11 ] [ 8.333114000000001e-11 2.588069e-10 2.680495e-10 ] [ 2.642381e-10 4.30457e-12 2.992394e-10 ] [ 2.45603e-10 2.243401e-10 1.184533e-10 ] [ 2.245972e-10 1.834771e-10 2.762862e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.789813 1.8568145 1.2144005 ] [ -34.5885199 16.6272775 2.4916498 ] [ 4.1150163 -18.7430116 4.2983914 ] [ 6.6625702 6.914825 -34.1474085 ] [ 22.0211203 -6.6559054 26.1429668 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.86759654420391e-09 2.974944781062442e-09 1.94568408938783e-09 ] [ -5.541691793185556e-08 2.663983527805388e-08 3.992063056780996e-09 ] [ 6.592982910070919e-09 -3.00296149889032e-08 6.886782208127781e-09 ] [ 1.067461420887878e-08 1.107877095192336e-08 -5.47101795596072e-08 ] [ 3.528172410848428e-08 -1.066393602213647e-08 4.188565020531059e-08 ] ] } "unrelaxed-potential-energy" { "source-value" 13.030762 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" 2.087758222760905e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.2524027 1.9014785 0.2504203 ] [ 0.0802247 1.964793 2.6316521 ] [ 3.0679113 -0.2543866 3.6883871 ] [ 2.6310698 1.7797372 0.4265807 ] [ 2.4587378 1.8394574 2.8079324 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.524027e-11 1.9014785e-10 2.504203e-11 ] [ 8.02247e-12 1.964793e-10 2.6316521e-10 ] [ 3.0679113e-10 -2.543866e-11 3.6883871e-10 ] [ 2.6310698e-10 1.7797372e-10 4.265807e-11 ] [ 2.4587378e-10 1.8394574e-10 2.8079324e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.15e-05 3.6e-05 -1.19e-05 ] [ -1.88e-05 -1.47e-05 3e-07 ] [ 2.69e-05 -1.89e-05 1.59e-05 ] [ 2.18e-05 -3.1e-05 -2.92e-05 ] [ -8.4e-06 2.87e-05 2.48e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.44467973472e-14 5.76783583488e-14 -1.906590178752e-14 ] [ -3.012092047104e-14 -2.355199632576e-14 4.8065298624e-16 ] [ 4.309855109952001e-14 -3.028113813312e-14 2.547460827072e-14 ] [ 3.492745033344e-14 -4.96674752448e-14 -4.678355732736e-14 ] [ -1.345828361472e-14 4.598246901696e-14 3.973398019584e-14 ] ] } "relaxed-potential-energy" { "source-value" -10.308677 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.651632128077868e-18 } }