{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.9398812 2.717033 1.670565 ] [ 2.278193 2.647912 4.038221 ] [ 1.856764 5.001969 2.684043 ] [ 3.35912 1.891848 2.112837 ] [ 5.060666 2.631323 3.812603 ] [ 4.070835 4.158298 1.920429 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.398812e-11 2.717033e-10 1.670565e-10 ] [ 2.278193e-10 2.647912e-10 4.038221e-10 ] [ 1.856764e-10 5.001969e-10 2.684043e-10 ] [ 3.35912e-10 1.891848e-10 2.112837e-10 ] [ 5.060666e-10 2.631323e-10 3.812603e-10 ] [ 4.070835e-10 4.158298e-10 1.920429e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.0634727 -0.5192114 -0.9659499 ] [ -1.7094901 -0.9758138 3.2273611 ] [ -0.2430351 1.391994 -0.1362175 ] [ -0.0210191 -1.7402557 -1.5909301 ] [ 1.768308 -0.2771518 1.1405692 ] [ 1.268709 2.1204388 -1.6748328 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.703871096799052e-09 -8.31868366332837e-10 -1.547622346644098e-09 ] [ -2.738905071709054e-09 -1.563426056614007e-09 5.170802501299371e-09 ] [ -3.893851552537901e-10 2.230220243093875e-09 -2.18244493843824e-10 ] [ -3.367631061025728e-11 -2.788196996753939e-09 -2.548951011547006e-09 ] [ 2.833141735973606e-09 -4.440461343726375e-10 1.82739330664456e-09 ] [ 2.032695898398547e-09 3.397317471197207e-09 -2.683377955909002e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -14.626279 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.3433882263098e-18 } "relaxed-configuration-positions" { "source-value" [ [ 1.3150469 2.6417024 1.3719289 ] [ 2.6033844 3.2951261 4.7605172 ] [ 1.797184 4.4898687 2.7778435 ] [ 3.2301984 1.259294 1.7552116 ] [ 4.4432881 2.5798285 3.3074297 ] [ 4.1763573 4.7825633 2.2657671 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.3150469e-10 2.6417024e-10 1.3719289e-10 ] [ 2.6033844e-10 3.2951261e-10 4.7605172e-10 ] [ 1.797184e-10 4.4898687e-10 2.7778435e-10 ] [ 3.2301984e-10 1.259294e-10 1.7552116e-10 ] [ 4.4432881e-10 2.5798285e-10 3.3074297e-10 ] [ 4.1763573e-10 4.782563299999999e-10 2.2657671e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -8.9e-06 4e-07 -1.41e-05 ] [ 1.41e-05 5.6e-06 -4.43e-05 ] [ 2.76e-05 -9.9e-06 2.21e-05 ] [ 1.5e-06 6.2e-06 1.61e-05 ] [ -1.25e-05 1.65e-05 4.8e-06 ] [ -2.18e-05 -1.87e-05 1.55e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.425937192512e-14 6.408706483200001e-16 -2.259069035328e-14 ] [ 2.259069035328e-14 8.972189076479999e-15 -7.097642430144e-14 ] [ 4.422007473408001e-14 -1.586154854592e-14 3.540810331968e-14 ] [ 2.4032649312e-15 9.93349504896e-15 2.579504359488e-14 ] [ -2.002720776e-14 2.64359142432e-14 7.69044777984e-15 ] [ -3.492745033344e-14 -2.996070280896e-14 2.48337376224e-14 ] ] } "relaxed-potential-energy" { "source-value" -17.186062 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.753510674001929e-18 } }