{ "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" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.8070865 2.620947 2.881943 ] [ 2.981493 2.883992 2.450576 ] [ 2.14387 2.287305 4.61196 ] [ 1.117537 4.809867 2.516966 ] [ 2.97789 5.94727 2.412215 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.070865000000001e-11 2.620947e-10 2.881943e-10 ] [ 2.981493e-10 2.883992e-10 2.450576e-10 ] [ 2.14387e-10 2.287305e-10 4.61196e-10 ] [ 1.117537e-10 4.809867e-10 2.516966e-10 ] [ 2.97789e-10 5.947269999999999e-10 2.412215e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -3.5204503 -1.5481351 -0.6404324 ] [ 1.5385755 0.9474072 -0.357038 ] [ 1.308919 -0.6954607 1.6771366 ] [ -0.8420425 0.4192344 -0.6483981 ] [ 1.5149985 0.8769542 -0.0312682 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -5.640383211818289e-09 -2.480385883495254e-09 -1.026085826936542e-09 ] [ 2.465069715744867e-09 1.517913678723365e-09 -5.72037941050092e-10 ] [ 2.097119437598646e-09 -1.114250883405284e-09 2.687069072546204e-09 ] [ -1.349100818334945e-09 6.716875598490095e-10 -1.038848285349995e-09 ] [ 2.427295197245048e-09 1.405035528328163e-09 -5.00971794272388e-11 ] ] } "unrelaxed-potential-energy" { "source-value" -11.790967 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.889121181966508e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.6047772 2.6729259 3.1132057 ] [ 2.9196361 3.2769021 2.4743103 ] [ 2.4353595 2.196456 4.5415583 ] [ 0.9929859 4.7628031 2.0141776 ] [ 3.0751178 5.6402939 2.7304082 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 6.047772000000001e-11 2.6729259e-10 3.1132057e-10 ] [ 2.9196361e-10 3.2769021e-10 2.4743103e-10 ] [ 2.4353595e-10 2.196456e-10 4.5415583e-10 ] [ 9.929859e-11 4.762803100000001e-10 2.0141776e-10 ] [ 3.0751178e-10 5.640293899999999e-10 2.7304082e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ -2.7e-05 2.73e-05 2.4e-06 ] [ 5.3e-06 -9.9e-06 -1.61e-05 ] [ 1.7e-05 -1.17e-05 8e-06 ] [ 8.4e-06 -2.9e-05 -1.04e-05 ] [ -3.7e-06 2.32e-05 1.61e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.325876911799999e-14 4.37394221082e-14 3.845223921599999e-15 ] [ 8.4915361602e-15 -1.58615486766e-14 -2.579504380739999e-14 ] [ 2.723700277799999e-14 -1.87454666178e-14 1.2817413072e-14 ] [ 1.34582837256e-14 -4.6463122386e-14 -1.66626369936e-14 ] [ -5.9280535458e-15 3.71704979088e-14 2.579504380739999e-14 ] ] } "relaxed-potential-energy" { "source-value" -14.06157 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.252911889135538e-18 } }