{ "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" [ [ 1.999551 1.685791 2.486539 ] [ 2.806467 1.943327 4.558328 ] [ 1.52714 3.922099 3.002179 ] [ 4.336396 2.072479 2.061694 ] [ 5.046676 1.88237 4.081611 ] [ 3.556935 4.352885 1.849563 ] [ 3.300335 4.140991 4.307093 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.999551e-10 1.685791e-10 2.486539e-10 ] [ 2.806467e-10 1.943327e-10 4.558328e-10 ] [ 1.52714e-10 3.922099e-10 3.002179e-10 ] [ 4.336396e-10 2.072479e-10 2.061694e-10 ] [ 5.046676e-10 1.88237e-10 4.081611e-10 ] [ 3.556935e-10 4.352885e-10 1.849563e-10 ] [ 3.300335e-10 4.140991e-10 4.307093e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 1.1137993 1.1700303 -0.8754585 ] [ 0.3197855 -0.7515054 0.9888899 ] [ -0.8437069 0.0842847 -1.721175 ] [ -2.7303808 1.0010054 -3.518729 ] [ -0.7745555 2.7013539 3.8942335 ] [ -0.7561524 -1.831621 1.7921372 ] [ 3.6712108 -2.3735479 -0.559898 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.784503213425556e-09 1.87459520773201e-09 -1.402639152736689e-09 ] [ 5.12352855992007e-10 -1.204044392204823e-09 1.584376291378596e-09 ] [ -1.351767481124575e-09 1.350389769436998e-10 -2.757626368024949e-09 ] [ -4.374552319682227e-09 1.603787462387823e-09 -5.637625385178185e-09 ] [ -1.240974723836187e-09 4.328046098744772e-09 6.239249921040039e-09 ] [ -1.211489707023021e-09 -2.934580368543714e-09 2.871320346762184e-09 ] [ 5.881928162248446e-09 -3.802842985059768e-09 -8.970554930233319e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -27.886113 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.467847866168365e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.0789272 2.0026999 2.2772104 ] [ 2.8146017 1.8131097 4.4431326 ] [ 1.4339108 4.0752013 3.1181043 ] [ 4.3529492 1.7288714 1.9535415 ] [ 4.9956564 2.4106198 4.0764302 ] [ 3.5192361 3.9189801 2.0593323 ] [ 3.3782186 4.0504596 4.4192557 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0789272e-10 2.0026999e-10 2.2772104e-10 ] [ 2.8146017e-10 1.8131097e-10 4.4431326e-10 ] [ 1.4339108e-10 4.0752013e-10 3.1181043e-10 ] [ 4.352949200000001e-10 1.7288714e-10 1.9535415e-10 ] [ 4.9956564e-10 2.4106198e-10 4.0764302e-10 ] [ 3.5192361e-10 3.9189801e-10 2.0593323e-10 ] [ 3.3782186e-10 4.0504596e-10 4.4192557e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 8.3e-06 -1.94e-05 5.16e-05 ] [ -4.36e-05 3.26e-05 -8.25e-05 ] [ 5.8e-06 -4.37e-05 -1.99e-05 ] [ -4.26e-05 5.34e-05 1.94e-05 ] [ 3.81e-05 -1.54e-05 2.47e-05 ] [ -8.6e-06 -4.9e-06 6.47e-05 ] [ 4.27e-05 -2.5e-06 -5.81e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.32980660622e-14 -3.10822266996e-14 8.267231431439999e-14 ] [ -6.985490124239999e-14 5.22309582684e-14 -1.32179572305e-13 ] [ 9.2926244772e-15 -7.001511890579999e-14 -3.18833150166e-14 ] [ -6.82527246084e-14 8.555623225559998e-14 3.10822266996e-14 ] [ 6.10429297554e-14 -2.46735201636e-14 3.95737628598e-14 ] [ -1.37787190524e-14 -7.850665506599998e-15 1.036608282198e-13 ] [ 6.84129422718e-14 -4.005441585e-15 -9.308646243539999e-14 ] ] } "relaxed-potential-energy" { "source-value" -30.294376 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.853694136881038e-18 } }