{ "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" [ [ 1.891577 1.147444 4.176951 ] [ 1.947528 5.315412 2.001915 ] [ 3.037668 3.274696 0.9821769 ] [ 1.344392 3.383525 2.90788 ] [ 3.679276 1.837825 2.704146 ] [ 4.016034 4.351153 3.141989 ] [ 3.129852 3.103182 4.716137 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 1.891577e-10 1.147444e-10 4.176951e-10 ] [ 1.947528e-10 5.315412000000001e-10 2.001915e-10 ] [ 3.037668e-10 3.274696e-10 9.821769000000001e-11 ] [ 1.344392e-10 3.383525e-10 2.90788e-10 ] [ 3.679276000000001e-10 1.837825e-10 2.704146e-10 ] [ 4.016034e-10 4.351153e-10 3.141989e-10 ] [ 3.129852e-10 3.103182e-10 4.716137e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 0.2156646 1.0245138 -0.8792835 ] [ 1.9595703 -0.1036626 -0.2354361 ] [ -0.8046026 1.223965 1.1023044 ] [ -0.1257574 -2.0300493 0.7919408 ] [ 0.2822542 -0.044153 0.4158439 ] [ -0.4689042 0.5148308 -2.3844338 ] [ -1.0582249 -0.5854446 1.1890642 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.455327800541837e-10 1.641452058046967e-09 -1.408767466755197e-09 ] [ 3.139577721474042e-09 -1.660857941713421e-10 -3.772102151123309e-10 ] [ -1.289115474754894e-09 1.961008107677472e-09 1.766086338684972e-09 ] [ -2.014855661725939e-10 -3.252497527531405e-09 1.268829034817649e-09 ] [ 4.522210803626074e-10 -7.07409043381824e-11 6.662553744822931e-10 ] [ -7.512673466349273e-10 8.248498714277607e-10 -3.820284088205303e-09 ] [ -1.695463194328418e-09 -9.379856508936076e-10 1.905090861870256e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -29.813509 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -4.776650710381039e-18 } "relaxed-configuration-positions" { "source-value" [ [ 2.0019023 1.4287306 3.9729193 ] [ 2.1851916 5.0155047 2.7087943 ] [ 2.7950099 3.2782792 1.0680108 ] [ 0.8635795 3.1209822 2.7345033 ] [ 4.0358278 1.8777433 2.809027 ] [ 4.3549172 4.165156 2.7598294 ] [ 2.8098988 3.526841 4.5781108 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.0019023e-10 1.4287306e-10 3.9729193e-10 ] [ 2.1851916e-10 5.0155047e-10 2.7087943e-10 ] [ 2.7950099e-10 3.2782792e-10 1.0680108e-10 ] [ 8.635795e-11 3.1209822e-10 2.7345033e-10 ] [ 4.0358278e-10 1.8777433e-10 2.809027e-10 ] [ 4.3549172e-10 4.165156e-10 2.7598294e-10 ] [ 2.8098988e-10 3.526841e-10 4.5781108e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -1.93e-05 5.43e-05 -8e-07 ] [ -8.7e-06 -3.14e-05 2.91e-05 ] [ 1.6e-06 -7.8e-06 0.0001325 ] [ 4.51e-05 -2.1e-05 -4.32e-05 ] [ -4.08e-05 2.23e-05 -3.4e-06 ] [ -5e-06 1.86e-05 -2.57e-05 ] [ 2.72e-05 -3.49e-05 -8.85e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -3.092200878144e-14 8.699819050944e-14 -1.28174129664e-15 ] [ -1.393893660096e-14 -5.030834589312e-14 4.662333966527999e-14 ] [ 2.56348259328e-15 -1.249697764224e-14 2.12288402256e-13 ] [ 7.225816559807999e-14 -3.36457090368e-14 -6.921403001856e-14 ] [ -6.536880612864e-14 3.572853864384e-14 -5.44740051072e-15 ] [ -8.010883104e-15 2.980048514688e-14 -4.117593915456e-14 ] [ 4.357920408576e-14 -5.591596406592e-14 -1.417926309408e-13 ] ] } "relaxed-potential-energy" { "source-value" -32.196266 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -5.158410466225794e-18 } }