{ "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" [ [ 2.872972 1.012553 2.780557 ] [ 2.489863 2.81954 0.4602746 ] [ 1.064652 2.650766 2.601591 ] [ 2.280466 2.401905 4.700098 ] [ 2.677321 4.010574 3.508674 ] [ 4.446125 3.093023 2.174548 ] [ 4.337554 1.939772 4.152011 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.872972e-10 1.012553e-10 2.780557e-10 ] [ 2.489863e-10 2.81954e-10 4.602746e-11 ] [ 1.064652e-10 2.650766e-10 2.601591e-10 ] [ 2.280466e-10 2.401905e-10 4.700098e-10 ] [ 2.677321e-10 4.010574e-10 3.508674e-10 ] [ 4.446125000000001e-10 3.093023e-10 2.174548e-10 ] [ 4.337554e-10 1.939772e-10 4.152011e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -1.8946663 -4.7976018 -3.6507914 ] [ 0.1229887 0.273107 0.881204 ] [ -3.4385466 -0.6533985 -3.9312785 ] [ -5.416361 -4.9501822 9.8807554 ] [ 1.3898516 11.0440387 -3.7701048 ] [ 0.7341535 1.2362565 -3.2973159 ] [ 8.5025802 -2.1522197 3.8875313 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.035590075087234e-09 -7.68660550319634e-09 -5.849212676688148e-09 ] [ 1.970496213860358e-10 4.37565653981838e-10 1.411844458587336e-09 ] [ -5.509159017440145e-09 -1.046859809390649e-09 -6.298602554446569e-09 ] [ -8.677967035508875e-09 -7.931066254882714e-09 1.583071542814932e-08 ] [ 2.226787758247514e-09 1.769450075013174e-08 -6.040373818291242e-09 ] [ 1.176243583469319e-09 1.980701277930621e-09 -5.28288248989668e-09 ] [ 1.362263532515105e-08 -3.448236114574489e-09 6.228511812803644e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -11.763411 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.884706224033857e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.1525387 0.7776962 3.418951 ] [ 2.9629476 3.005927 0.3167334 ] [ 1.2858419 2.4504511 1.9220811 ] [ 2.7145201 2.3873878 5.3059077 ] [ 2.2591006 4.0115611 3.5500954 ] [ 4.2806602 3.6062867 2.2145157 ] [ 4.5133439 1.6888232 3.6494693 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.1525387e-10 7.776962e-11 3.418951e-10 ] [ 2.9629476e-10 3.005927e-10 3.167334e-11 ] [ 1.2858419e-10 2.4504511e-10 1.9220811e-10 ] [ 2.7145201e-10 2.3873878e-10 5.305907699999999e-10 ] [ 2.2591006e-10 4.0115611e-10 3.5500954e-10 ] [ 4.2806602e-10 3.6062867e-10 2.2145157e-10 ] [ 4.5133439e-10 1.6888232e-10 3.6494693e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.97e-05 -1.87e-05 -1.4e-05 ] [ -1.3e-06 -5e-06 5.1e-06 ] [ 4.1e-06 -1.5e-06 8.9e-06 ] [ -8.3e-06 2.3e-06 1.39e-05 ] [ 1.1e-05 1e-07 -2.2e-06 ] [ 7.1e-06 -2.4e-06 -0.0 ] [ 7e-06 2.52e-05 -1.16e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.15628796898e-14 -2.99607030558e-14 -2.243047287599999e-14 ] [ -2.0828296242e-15 -8.010883169999999e-15 8.1711008334e-15 ] [ 6.568924199399999e-15 -2.403264951e-15 1.42593720426e-14 ] [ -1.32980660622e-14 3.685006258199999e-15 2.22702552126e-14 ] [ 1.7623942974e-14 1.602176634e-16 -3.5247885948e-15 ] [ 1.13754541014e-14 -3.845223921599999e-15 0.0 ] [ 1.1215236438e-14 4.037485117679999e-14 -1.85852489544e-14 ] ] } "relaxed-potential-energy" { "source-value" -18.082717 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.897170665663458e-18 } }