{ "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" [ [ 0.421878 2.270641 0.131256 ] [ 0.1151872 2.83342 1.501847 ] [ 1.874433 0.2983712 0.2433776 ] [ 2.499725 0.6406393 2.506935 ] [ 1.789352 2.803582 2.39627 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.21878e-11 2.270641e-10 1.31256e-11 ] [ 1.151872e-11 2.83342e-10 1.501847e-10 ] [ 1.874433e-10 2.983712e-11 2.433776e-11 ] [ 2.499725e-10 6.406393e-11 2.506935e-10 ] [ 1.789352e-10 2.803582e-10 2.39627e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ 3.3027148 -6.4082909 -11.64241 ] [ -12.367694 6.3093221 6.5664006 ] [ -0.5119492 0.9396119 0.0707303 ] [ 0.6111565 -0.6317871 -0.2567865 ] [ 8.9657719 -0.2088559 5.2620656 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.291532481325983e-09 -1.026721394385483e-08 -1.865319726544793e-08 ] [ -1.9815230343262e-08 1.010864844499981e-08 1.052053361080358e-08 ] [ -8.202330460349928e-10 1.505424231208344e-09 1.133224339758102e-10 ] [ 9.791806640172208e-10 -1.012234529282621e-09 -4.114173302266409e-10 ] [ 1.436475024395378e-08 -3.346240428530406e-10 8.43075855089519e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -10.243088 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.641123625360579e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.8348851 2.2001377 -0.0091357 ] [ -0.4676561 3.1684796 1.7752786 ] [ 1.8081316 0.0965521 0.262505 ] [ 2.690535 0.6052478 2.3726651 ] [ 1.8346795 2.7762364 2.3783726 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.348851000000001e-11 2.2001377e-10 -9.135700000000001e-13 ] [ -4.676561e-11 3.1684796e-10 1.7752786e-10 ] [ 1.8081316e-10 9.655210000000001e-12 2.62505e-11 ] [ 2.690535e-10 6.052478000000001e-11 2.3726651e-10 ] [ 1.8346795e-10 2.7762364e-10 2.3783726e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 3.38e-05 -2.59e-05 -0.0001233 ] [ -8.08e-05 5.36e-05 5.38e-05 ] [ 1.9e-05 -7.46e-05 3.15e-05 ] [ -7.6e-06 1.17e-05 -8.27e-05 ] [ 3.56e-05 3.51e-05 0.0001207 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 5.415357022919999e-14 -4.149637482059999e-14 -1.975483789722e-13 ] [ -1.294558720272e-13 8.587666758239999e-14 8.619710290919999e-14 ] [ 3.0441356046e-14 -1.195223768964e-13 5.046856397099999e-14 ] [ -1.21765424184e-14 1.87454666178e-14 -1.325000076318e-13 ] [ 5.703748817039999e-14 5.62363998534e-14 1.933827197238e-13 ] ] } "relaxed-potential-energy" { "source-value" -15.456761 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.476446131152247e-18 } }