{ "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" [ [ 0.9163946 0.5446671 1.49786 ] [ 0.0084298 2.294234 2.779305 ] [ 1.912564 0.4098673 0.1717336 ] [ 2.851379 0.2549877 2.412214 ] [ 1.718971 2.318251 1.204915 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 9.163945999999999e-11 5.446671e-11 1.49786e-10 ] [ 8.4298e-13 2.294234e-10 2.779305e-10 ] [ 1.912564e-10 4.098673e-11 1.717336e-11 ] [ 2.851379e-10 2.549877e-11 2.412214e-10 ] [ 1.718971e-10 2.318251e-10 1.204915e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -18.6375823 -5.1637282 19.1249542 ] [ -0.0454597 0.2489648 0.0074034 ] [ 14.1717778 -3.2869581 -19.6389762 ] [ 1.4048041 0.0270639 0.6062415 ] [ 3.1064601 8.1746575 -0.099623 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -2.986069862929589e-08 -8.273204598205668e-09 3.064155449311077e-08 ] [ -7.283446852858175e-11 3.988855819621479e-10 1.186155439443072e-11 ] [ 2.270569106633246e-08 -5.266287421369189e-09 -3.146510852408763e-08 ] [ 2.250744285823985e-09 4.336114784766912e-11 9.713059578587233e-10 ] [ 4.97709774566803e-09 1.309724512954738e-08 -1.596136414939584e-10 ] ] } "unrelaxed-potential-energy" { "source-value" -5.9463762 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -9.527144926121545e-19 } "relaxed-configuration-positions" { "source-value" [ [ 0.328225 -0.121591 1.7145858 ] [ 0.4887647 2.0532175 2.7171064 ] [ 1.9891805 0.5010992 0.0977714 ] [ 2.4518679 0.7133637 2.4362918 ] [ 2.1497002 2.6759176 1.1002722 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 3.28225e-11 -1.21591e-11 1.7145858e-10 ] [ 4.887647e-11 2.0532175e-10 2.7171064e-10 ] [ 1.9891805e-10 5.010992e-11 9.77714e-12 ] [ 2.4518679e-10 7.133637000000001e-11 2.4362918e-10 ] [ 2.1497002e-10 2.6759176e-10 1.1002722e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 1.94e-05 1.88e-05 7.9e-06 ] [ 1.31e-05 -1.36e-05 -3.35e-05 ] [ -1.82e-05 1.52e-05 -9e-07 ] [ -5.6e-06 7.7e-06 8.3e-06 ] [ -8.6e-06 -2.81e-05 1.82e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 3.108222644352e-14 3.012092047104e-14 1.265719530432e-14 ] [ 2.098851373248e-14 -2.178960204288e-14 -5.36729167968e-14 ] [ -2.915961449856e-14 2.435308463616e-14 -1.44195895872e-15 ] [ -8.972189076479999e-15 1.233675998016e-14 1.329806595264e-14 ] [ -1.377871893888e-14 -4.502116304448e-14 2.915961449856e-14 ] ] } "relaxed-potential-energy" { "source-value" -13.3401 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.137319633913408e-18 } }