{ "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" [ [ 2.596447 0.5894877 3.838334 ] [ 1.369077 2.86119 3.866131 ] [ 2.011058 5.105046 2.796353 ] [ 3.116098 2.834339 2.386368 ] [ 3.638135 2.33604 4.892399 ] [ 3.921466 4.7829 1.89112 ] [ 5.122204 3.316972 3.335617 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 2.596447e-10 5.894877e-11 3.838334e-10 ] [ 1.369077e-10 2.86119e-10 3.866131e-10 ] [ 2.011058e-10 5.105046e-10 2.796353e-10 ] [ 3.116098e-10 2.834339e-10 2.386368e-10 ] [ 3.638135e-10 2.33604e-10 4.892399e-10 ] [ 3.921466e-10 4.7829e-10 1.89112e-10 ] [ 5.122204e-10 3.316972e-10 3.335617e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -0.85273 -7.1417515 0.3576345 ] [ -7.4167341 2.4018087 2.3693291 ] [ -6.3713998 5.6133888 2.1961175 ] [ -1.8226716 -7.8486426 -11.6077127 ] [ 3.9512967 -0.1880009 8.9041425 ] [ 5.1909292 7.2099283 -5.0068302 ] [ 7.3213095 -0.0467308 2.7873193 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -1.366224069854784e-09 -1.144234728486333e-08 5.729936346914977e-10 ] [ -1.188291797771013e-08 3.848121746774041e-09 3.796083691001105e-09 ] [ -1.02081078013298e-08 8.993640298820567e-09 3.518568115029744e-09 ] [ -2.92024182491613e-09 -1.257491167873493e-08 -1.859760590890325e-08 ] [ 6.330675194584191e-09 -3.012106466693587e-10 1.426600894177166e-08 ] [ 8.316785404468048e-09 1.155157855990429e-08 -8.021826290755388e-09 ] [ 1.173003091454094e-08 -7.487099523128065e-11 4.465777817164622e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -9.1827266 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.471234987371828e-18 } "relaxed-configuration-positions" { "source-value" [ [ 3.825233 0.929209 3.2930397 ] [ 1.315865 3.3450175 3.8789057 ] [ 2.2077193 5.4237247 3.0875158 ] [ 2.3425422 2.2555307 1.9443333 ] [ 3.1230163 2.5308497 5.2263294 ] [ 3.8631632 4.1708517 1.8906218 ] [ 5.0969461 3.1707914 3.6855763 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.825233e-10 9.29209e-11 3.2930397e-10 ] [ 1.315865e-10 3.3450175e-10 3.8789057e-10 ] [ 2.2077193e-10 5.4237247e-10 3.0875158e-10 ] [ 2.3425422e-10 2.2555307e-10 1.9443333e-10 ] [ 3.1230163e-10 2.5308497e-10 5.2263294e-10 ] [ 3.8631632e-10 4.1708517e-10 1.8906218e-10 ] [ 5.096946100000001e-10 3.170791400000001e-10 3.6855763e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 6.7e-06 -1.41e-05 -2.09e-05 ] [ -1.02e-05 -1.77e-05 1.98e-05 ] [ 2.71e-05 -4.2e-06 1e-06 ] [ -6.4e-06 -1e-07 4.1e-06 ] [ 7.2e-06 3.27e-05 -3.41e-05 ] [ -1.13e-05 -1.1e-06 -1.35e-05 ] [ -1.31e-05 4.5e-06 4.37e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 1.073458335936e-14 -2.259069035328e-14 -3.348549137472e-14 ] [ -1.634220153216e-14 -2.835852618816e-14 3.172309709184e-14 ] [ 4.341898642368e-14 -6.72914180736e-15 1.6021766208e-15 ] [ -1.025393037312e-14 -1.6021766208e-16 6.568924145279999e-15 ] [ 1.153567166976e-14 5.239117550016001e-14 -5.463422276928e-14 ] [ -1.810459581504e-14 -1.76239428288e-15 -2.16293843808e-14 ] [ -2.098851373248e-14 7.2097947936e-15 7.001511832895999e-14 ] ] } "relaxed-potential-energy" { "source-value" -19.086282 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -3.057959479839587e-18 } }