{ "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" [ [ 2.69276 0.7489354 1.12344 ] [ 2.32609 2.279725 3.013569 ] [ 2.388377 0.2175567 3.770382 ] [ 2.168931 2.205605 5.63033 ] [ 4.69019 0.7206414 2.589749 ] [ 3.957875 2.675588 1.380487 ] [ 4.50812 1.505291 4.661584 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.69276e-10 7.489354e-11 1.12344e-10 ] [ 2.32609e-10 2.279725e-10 3.013569e-10 ] [ 2.388377e-10 2.175567e-11 3.770382e-10 ] [ 2.168931e-10 2.205605e-10 5.63033e-10 ] [ 4.690190000000001e-10 7.206414e-11 2.589749e-10 ] [ 3.957875e-10 2.675588e-10 1.380487e-10 ] [ 4.50812e-10 1.505291e-10 4.661584000000001e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.7806049 -1.1934392 0.1161009 ] [ -4.4008731 3.620337 0.1534603 ] [ 0.2602592 -1.2175065 0.2692864 ] [ 0.9680507 -0.5275335 -1.0791314 ] [ 2.5033117 -2.1892954 -1.4052235 ] [ 1.2894686 1.1143613 -0.2746478 ] [ 0.1603878 0.3930763 2.220155 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.250666931165906e-09 -1.912100400339653e-09 1.860141491663706e-10 ] [ -7.050976050019145e-09 5.800419348605658e-09 2.458705069066302e-10 ] [ 4.169812090235328e-10 -1.950660466043121e-09 4.314443779339775e-10 ] [ 1.550988212067344e-09 -8.452018473522389e-10 -1.728959114095708e-09 ] [ 4.010747513358817e-09 -3.507637934803683e-09 -2.251416257247699e-09 ] [ 2.065956461196692e-09 1.785403636693864e-09 -4.400342877395051e-10 ] [ 2.569695855386651e-10 6.297776632391741e-10 3.55708046485827e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -16.540731005765544 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.650117272671687e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.21326 0.6576336 1.6626765 ] [ 2.0885133 2.7367889 2.6276953 ] [ 2.546454 -0.2740062 3.8325016 ] [ 2.4082051 1.8428794 4.7096514 ] [ 4.4343025 0.5159248 2.5713015 ] [ 4.35421 2.9028786 2.2979436 ] [ 4.6873982 1.9712435 4.467771 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.21326e-10 6.576336e-11 1.6626765e-10 ] [ 2.0885133e-10 2.7367889e-10 2.6276953e-10 ] [ 2.546454e-10 -2.740062e-11 3.8325016e-10 ] [ 2.4082051e-10 1.8428794e-10 4.7096514e-10 ] [ 4.434302500000001e-10 5.159248e-11 2.5713015e-10 ] [ 4.35421e-10 2.9028786e-10 2.2979436e-10 ] [ 4.6873982e-10 1.9712435e-10 4.467771e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 2.54e-05 4.4e-06 3.91e-05 ] [ -1.72e-05 1.14e-05 -2.84e-05 ] [ -2.14e-05 -2.33e-05 1.45e-05 ] [ -6.5e-06 3.3e-06 -1.58e-05 ] [ -2.4e-06 9.5e-06 -4.45e-05 ] [ -4.1e-06 -7.9e-06 2.18e-05 ] [ 2.63e-05 2.6e-06 1.33e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 4.06952865036e-14 7.0495771896e-15 6.26451063894e-14 ] [ -2.75574381048e-14 1.82648136276e-14 -4.550181640559999e-14 ] [ -3.42865799676e-14 -3.733071557219999e-14 2.3231561193e-14 ] [ -1.0414148121e-14 5.2871828922e-15 -2.53143908172e-14 ] [ -3.845223921599999e-15 1.5220678023e-14 -7.129686021299999e-14 ] [ -6.568924199399999e-15 -1.26571954086e-14 3.492745062119999e-14 ] [ 4.21372454742e-14 4.165659248399999e-15 2.13089492322e-14 ] ] } "relaxed-potential-energy" { "source-value" -20.808943005765546 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.333960226207528e-18 } }